VMD-L Mailing List

From: Ignacio Fernández Galván (jellby_at_yahoo.com)
Date: Tue Apr 24 2007 - 02:58:20 CDT

Hi all,

I have a trajectory (actually, a set of configurations) in a xyz file,
where the number of atoms in each structure is different, and I would
like to display them in some kind of movie. According to this message
(<http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/3185.html>), I
could load each structure in a separate molecule, but when I tried the
scripts in this page
(<http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/cpmd-vmd/part7.html#chap9_sect5>),
with something like:

for {set i 0} {$i < 15} {incr i} {
 mol new "file.xyz" first $i last $i
}

VMD didn't want to read the structures in frames after the first (it
created molecules with 0 frames). Can it be made to work? I don't want
to have each frame in a different file...

Thanks a lot

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