Minutes 2017 12 11

Jump to bottom

Oliver Beckstein edited this page Dec 11, 2017 · 3 revisions

Quick summary of the Google hangout discussion on 2017-12-11:

summary of the latest updates

Shirt group added Gromacs extended ensemble data set alchemtest #4
Shirt group added Gromacs extended ensemble parser #14
- todo: documentation #49
Mobley group will work on NAMD parser #7 and data set alchemtest #17
STX is using current alchemlyb successfully in their work
alchemical-analysis will announce that future development will move to alchemlyb

next steps

Next meeting Jan 8, 10am PST.

agenda: list and prioritize functionality in alchemical-analysis that should be moved into alchemlyb
STX group will work on Amber FEP/MBAR "u_nk" parser #42