[gmx-users] trjconv smoothing/averaging
Bert de Groot
bgroot at gwdg.de
Thu Dec 13 14:08:56 CET 2001
Marc Lensink wrote:
>
> Bert de Groot wrote:
> > Hi all,
> >
> > in the spirit of the time of the year, I'd like to express a trjconv wish:
> > an option that performs a running average over a trajectory for smoothing
> > purposes, that can be convenient for e.g. visualization. Ideally,
> > such an option would perform either a rectangular or a gaussian window type
> > of smoothing, of variable width.
>
> Then I suppose -skip is not what you want.
>
right
> Can't you use the running average option of xmgrace for this purpose?
> It's not integrated, but it'll do the trick.
>
no, that's not what I mean. I want to smooth the TRAJECTORY itself, not a one-dimenisonal
property (like e.g. the accessible surface) derived from it (which could indeed
be smoothed by xmgr(ace) as you mentioned).
Bert
____________________________________________________________________________
Dr. Bert de Groot
Max Planck Institute for Biophysical Chemistry
Theoretical molecular biophysics group
Am Fassberg 11
37077 Goettingen, Germany
tel: +49-551-2011306, fax: +49-551-2011089
email: bgroot at gwdg.de
http://www.mpibpc.gwdg.de/abteilungen/071/bgroot
____________________________________________________________________________
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