[gmx-users] g_rmsf -res

[Carla Jamous]

Hi Everyone,

please I have a question concerning g_rmsf.
I need to compare the RMSF from my initial structure to the RMSF of my
average structure.

To do so, I need to calculate the average per residue.

When I did

g_rmsf -s .tpr -f .xtc -n .ndx -b xx -e yy -o rmsf

or

g_rmsf -s .tpr -f .xtc -n .ndx -b xx -e yy  -res -o rmsf

I got the same result, when choosing C-alpha for root mean square
calculation.

So please can anyone explain how can I get the average per residue over a
period of time?

Thanks,
Carla
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