VMD-L Mailing List
From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Thu Jun 25 2015 - 12:41:36 CDT
On Thu, Jun 25, 2015 at 12:42 PM, Kevin C Chan
> Dear Users,
> I am trying to use PBC tool to do wrapping and unwrapping and having a
> simple question of why after reading a xsc file, "pbc box" will put a box
> cornered at origin even if my xsc should have told it that the system is
> centered at the origin.
PBCtools cannot do this, because VMD cannot store that information.
All that is available is the three lengths of the cell vectors and
their relative angles.
> Thanks in advance,
> City University of Hong Kong
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0 College of Science & Technology, Temple University, Philadelphia PA, USA International Centre for Theoretical Physics, Trieste. Italy.