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
--
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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