[gmx-users] Need small well known QM/MM example

[Ake Sandgren]

Hi!

I need a small QM/MM gromacs input data with a well known result (and
preferably the output too) to compare to the gromacs/gamess-uk setup i'm
testing.

Does anyone have something i can use?

-- 
Ake Sandgren, HPC2N, Umea University, S-90187 Umea, Sweden
Internet: ake at hpc2n.umu.se   Phone: +46 90 7866134 Fax: +46 90 7866126
Mobile: +46 70 7716134 WWW: http://www.hpc2n.umu.se