[gmx-users] problem with g_rmsf

[Adriana Pietropaolo]

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,
> 
ok...
thanks!
I understood that -q was ignored...but I didn't know why!
cheers,
Adriana