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From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Thu May 24 2007 - 09:19:44 CDT
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On Thu, 24 May 2007, Stéphane Téletchéa wrote:
stephane,
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).
please check out the PBCTools plugin (bundled with VMD, it has
been updated, improved and cleaned up with the recent 1.8.6).
http://www.ks.uiuc.edu/Research/vmd/plugins/pbctools/
salut,
axel.
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>
ST> Thanks in advance,
ST>
ST> Stéphane
ST>
-- ======================================================================= Axel Kohlmeyer akohlmey_at_cmm.chem.upenn.edu http://www.cmm.upenn.edu Center for Molecular Modeling -- University of Pennsylvania Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323 tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425 ======================================================================= If you make something idiot-proof, the universe creates a better idiot.
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