VMD-L Mailing List

From: Olaf Lenz (olenz_at_fias.uni-frankfurt.de)
Date: Thu Jan 03 2008 - 08:38:47 CST

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Hi!

Sergio Garay wrote:
> Is there any possibility to obtain the gromacs box size dimensions
from xtc,
> trr or gro files in VMD?

If I'm not completely mistaken, the gromacs file reader plugins read the
box dimensions by default, i.e. when you have read a gromacs files, you
can access the box size on the Tcl level by using

        set size [molinfo top get {a b c}]

Olaf
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