[gmx-users] bug in g_msd

Justin A. Lemkul jalemkul at vt.edu
Thu Mar 15 18:01:20 CET 2012

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:




Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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