[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.
> 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).
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
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