[gmx-users] g_rmsf -res yes ? => should I type "yes" to activate the "average-function" ?

[Chih-Ying Lin]

Hi

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" ?
Thank you
Lin



Chih-Ying Lin wrote:
>
>
>
>
> Hi
> 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
per
residue.  The output is inherently (and necessarily) different.

-Justin

>
>
>
>
>
> Thank you
> Lin
>
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