VMD-L Mailing List

From: Olaf Lenz (olenz_at_fias.uni-frankfurt.de)
Date: Wed Feb 27 2008 - 04:59:30 CST

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Hi!

Have a look at the pbctools plugin:

        http://www.ks.uiuc.edu/Research/vmd/plugins/pbctools/

To do what you want, just type

        pbc set {46.4207 43.6299 18.9596 90 90 120} -all

in the VMD console. That should do the trick.
Otherwise, you'll have to teach the DLPOLY history file reader to return
the periodicity information.

Olaf
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