[gmx-users] problem with g_rmsf

Adriana Pietropaolo adriana at ms.fci.unibo.it
Mon Feb 13 13:37:31 CET 2006

On Mon, 13 Feb 2006, Tsjerk Wassenaar wrote:

> Hi Adriana,
> I have to clarify a bit (and admit I was slightly wrong). The option -q is
> an input .pdb file to which the rmsf values can be added, which are then
> together output to the file given by the -oq option. When using the -oq
> option without -q the reference structure (from -s) will be used for that.
> If you only supply a -q... I think it is ignored. There is no way to make
> the comparison for you. You can use g_rmsf to calculate the root mean square
> fluctuation, the B-factor (-ox) or the anisotropic temperature factors. But
> you'll have to do the comparison yourself.
> Cheers,
I understood that -q was ignored...but I didn't know why!

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