[gmx-users] g_rmsf -res yes ? => should I type "yes" to activate the "average-function" ?
chihying2008 at gmail.com
Tue Oct 26 02:02:54 CEST 2010
g_rmsf -res yes ?
g_rmsf -res no ?
should I type "yes" to activate the "average-function"?
As i tested "g_rmsf -res",
the average is not over time and not over the atoms in the residue.
Anyway, how to activate the "average function" ?
Chih-Ying Lin wrote:
> g_rmsf -f abc.xtc -s abc.tpr -res -o abcrmsf.xvg
> From manual => it says " Calculate averages for each residue "
> => does Gromacs do average over time for each
> residue ?
The average is done over time and over the atoms in the residue.
> => however, the results did not show difference
> with and without " -res "
I doubt that. Without -res, you get RMSF per atom. With -res, you get RMSF
residue. The output is inherently (and necessarily) different.
> Thank you
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