[gmx-users] trjconv smoothing/averaging

[K.A.Feenstra]

Bert de Groot wrote:
> 
> 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).

This has already been on the developers wish-list for some time.
It should be quite trivial to implement, but none of us has found
the time (or a strong enough reason) to do it. So we would be very
grateful indeed if you could do it for us... ;-)

-- 
Groetjes,

Anton
 _____________ _____________________________________________________
|             | Anton Feenstra       Dept. of Biophysical Chemistry |
|  _   _  ___,| K.A.Feenstra at chem.rug.nl    University of Groningen |
| / \ / \'| | | Tel +31 50 363 4327                    Nijenborgh 4 |
|(   |   )| | | Fax +31 50 363 4800               9747 AG Groningen |
| \_/ \_/ | | | http://md.chem.rug.nl/~anton        The Netherlands |
|             | "Fly to the Court of England and Unfold" (Macbeth, A|
|_____________|_____________________________________________________|