VMD-L Mailing List

From: David A. Horita (dhorita_at_wfubmc.edu)
Date: Wed Mar 09 2005 - 14:27:28 CST

Hi,
I'm running some charmm md simulations where the protein of interest
starts with its center of mass ~40A along +Z. One of the things I want
to see is where/how far the protein moves/diffuses, so the absolute
origin (and directions of X, Y, & Z) are of interest. When I load up a
trajectory into VMD, the protein is centered at the origin (or at least
coincides with the axes at origin). If I load another molecule which is
centered at 0,0,0 my protein moves into its proper position along +Z.
Is there a flag or a way to turn off the auto-centering such that the
trajectory starts in the correct place?
Thanks,
Dave Horita
 
-----------------------------
David A. Horita, Ph.D.
Department of Biochemistry
Wake Forest University School of Medicine
Winston-Salem, NC 27157-1016
Tel: 336 713-4194
Fax: 336 716-7671
email: dhorita_at_wfubmc.edu
web: http://www.wfubmc.edu/biochem/faculty/Horita/