From: M SH (
Date: Fri Apr 15 2005 - 13:31:45 CDT


I can get the coordinates of one atom like following:

set selp [atomselect top "name POT"]
set pxyz [$selp get {x y z}]
foreach {xp yp zp} $pxyz { break }

But I don't know how to load into a vector. I want to use vector operator to speed up my computation.

Also how can I store my sampling data from simulation steps? Can I just use global or do I have the write it into a file onto harddisk.

Thanks a lot!

Life is beautiful.