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From: Ahmet Bakan (abakan_at_KU.EDU.TR)
Date: Thu Jun 24 2004 - 13:51:12 CDT

 

Hi All,

 

I want to calculate average positions of all atoms in a trajectory. There
are about 4000 atoms and 200 frames. What I think is writing a script that
moves along the trajectory as summing the Coordinate/FrameNumber. This
seems consume a lot of memory. Do you have any better ideas or some script
doing this?

Thanks in advance,

 

Ahmet

==========ABC==========
Ahmet Bakan
Chemistry, Senior
Koc University
 <mailto:abakan_at_ku.edu.tr> abakan_at_ku.edu.tr
ICQ #86167698
http://home.ku.edu.tr/~abakan