> I find that smoothing all the residues results in
> unwanted geometric distortions
If you energy minimize each frame of the smoothed trajectory,
this should clean it up.
> So I am looking at smoothing selected residues.
I doubt that is possible with current software.
Bill
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Apr 15 2010 - 08:00:02 PDT