[gmx-developers] plans for GROMACS 5.0 beta December 1

[David van der Spoel]

I have a ton of code, most of it won't make it. But here's what will:

- WAXS/SAXS refinement in mdrun
- New analysis tool for RNA

Hopefully:
- QM/MM framework
- Gaussian output to GAFF topology including RESP (needs OpenBabel 
linking though)

If people want any new polarization stuff, let's discuss it on the list. 
If there is interest I can add my coulomb integrals code (Gaussian, 
Slater, need CLN and GMP libraries) even though the routines that 
actually use it will not make it before Dec 1st.

-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se