[gmx-users] bug in g_msd

[Justin A. Lemkul]

Gavin Melaugh wrote:
> Hi all
> 
> Is there a bug with g_msd when using the -mol flag. I have my own
> program that calculates the MSD. If I compare it with the gromacs
> utility for one system the curves are the exact same, however when I
> compare with another system th curves are very different. Someone else
> mentioned something similar a few days ago, so I was just wondering if
> this was the case.
> 

Sounds like this is a known issue:

http://redmine.gromacs.org/issues/774

-Justin

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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