VMD-L Mailing List

From: jbaucom_at_unity.ncsu.edu
Date: Wed Apr 06 2005 - 12:39:08 CDT

Once VMD reads in coordinates from an amber input file, are the
box dimensions stored anywhere? If so, how can I access them?

I'm also looking to automate the process of finding the center of
mass. I'm not looking to move the structures, just locate it. Anyone
have a script handy for such a process?

Jason