[gmx-users] trjconv smoothing/averaging

[Bert de Groot]

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
____________________________________________________________________________