[gmx-users] trjconv smoothing/averaging

[Bert de Groot]

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.

I've started an attempt to implement this in trjconv, but didn't get very far.

Any help would be greatly appreciated!

Bert

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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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