Science & software update: Gromacs workshop in Gottingen

[kasson]

We just had an interesting and productive Gromacs workshop in Goettingen, Germany, hosted by Gerrit Groenhof, Bert de Groot, and Helmut Grubmueller of the Max Planck Institute there. There were scientific and technical presentations from a number of groups as well as the Gromacs developers. The full list of presentations is available at: http://wiki.gromacs.org/index.php/Goett ... 8_Workshop

From Folding@Home, both I and Michael Shirts (now a professor at the University of Virginia but continuing to work actively on FAH) gave presentations. These focused on some of the science we've been doing with Folding@Home, particualrly vesicle fusion and influenza infection (me) and free-energy calculations (Michael). During our time there, both Michael and I were working intensively with the Gromacs developers. Michael in particular is adding a number of important scientific algorithms to the main Gromacs code, both contributing them to the general community and making it much easier for us to use them in Folding@Home.