VMD-L Mailing List

From: Alexandr Isayev (alex_at_ccmsi.us)
Date: Thu May 24 2007 - 10:59:08 CDT

Stéphane,

This is also should be pretty easy:

pbc box [options]

Please here for options and other commands
http://www.ks.uiuc.edu/Research/vmd/plugins/pbctools/

Sincerely,
Alexandr

Thursday, May 24, 2007, 9:54:25 AM, you wrote:

ST> I know it is quite easy to display the images of the system, but is
ST> there any command to display the box itself (i would expect a wireframe
ST> drawing of the box for instance).

ST> I'm using gromacs (and .gro/xtc files) where the box dimensions are
ST> written inside the coordinates (below), and i was willing to see if the
ST> molecule is *inside* the box or not.

ST> Thanks in advance,

ST> Stéphane

-------------------------------------------------------
Alexandr Isayev,
Graduate Research Assistant, and System Administrator
@ Computational Center for Molecular Structure
and Interactions (CCMSI),
Jackson State University,
Jackson, MS USA
   Tel: +(601) 979-1134
e-mail: alex(at)ccmsi.us
   Web: http://www.ccmsi.us
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