VMD-L Mailing List

From: Michael Daily (mdaily.work_at_gmail.com)
Date: Fri Aug 19 2011 - 13:41:06 CDT

So I've figured out on the command line how to calculate the center of mass
of a group of atoms and move that point to the origin using "moveby."
 Recalculating the center of mass verifies that it has moved to (0,0,0).
 However, in the GUI the system still does not rotate about that point.
 What I'm asking is - how do I move vmd's center of rotation, not just the
point (0,0,0) to the aforementioned center of mass. In pymol this was so
much easier, like:

select chA, chain A
center chA

I realize in VMD one can manually fix the center by using "c" mode but this
is tedious and imprecise.

Thanks,
Mike 

-- 
====================================
Michael D. Daily
Postdoctoral research associate
Pacific Northwest National Lab (PNNL)
509-375-4581
(formerly Qiang Cui group, University of Wisconsin-Madison)