AMBER Archive (2003)

Subject: errors in MD trajectories

From: Vlad Cojocaru (Vlad.Cojocaru_at_mpi-bpc.mpg.de)
Date: Fri Jan 10 2003 - 12:13:03 CST

Dear Ambers,
   I have a more general question regarding the errors in MD
trajectories. Could somebody give me some advises about the methods to
prove the reliability of MD trajectories from the statistical viewpoint.
I mean what kind of parameters should one calculate and what values are
to be expected? Also I would like to know some software which does a
good job in such calculations.
   Sorry if my question is not maybe totally clear but I am a beginner
with analyzing MD trajectories from the statistical viewpoint.
   In other words, I have some trajectories in which I see certain
structural behavior and I would like to establish if my results are
reliable or not.
  Thanks a lot for any kind of advises,
Best regards,
vlad 

-- 
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