AMBER Archive (2002)

Subject: more about averaging

From: Vlad Cojocaru (Vlad.Cojocaru_at_mpi-bpc.mpg.de)
Date: Fri Nov 08 2002 - 08:12:00 CST

Dear Amber users,
  Thanks a lot for clarifying the average runningaverage difference. Now
I have another question:
  The results of averaging in ptraj and carnal are very different for
the same trajectory. While in carnal I obtain a structure that looks
very strange in ptraj I obtain a "good looking structure". Where can
this be coming from? I have to add that I use vmd for visualization.
Thanks a lot,
vlad
  This was my previous message. Now if I look closer to the average
structure from ptraj is identical to the initial structure. How can it be?? 

-- 
Vlad Cojocaru 
Max Planck Institute for Biophysical Chemistry 
Department: 060 
Am Fassberg 11, 37077 Goettingen, Germany 
tel: ++49-551-201.1389 
e-mail: Vlad.Cojocaru_at_mpi-bpc.mpg.de
home tel: ++49-551-9963204