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From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Nov 11 2009 - 10:43:34 CST
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On Wed, 2009-11-11 at 16:58 +0100, Gustavo Gust wrote:
> Hi John, I'm trying to use bigdcd (I used before) but, how can I read
> the
> xst file, in order to get a,b and c at every frame and wrap the
> system? I
> can't figure out how to read every frame from dcd file and the
> corresponding
> data from xst file.
gustavo,
have you checked whether you need the .xst file at all?
newer (several years, that is) .dcd format files already
contain the system cell size information.
cheers,
axel.
>
> Thank you for your help.
>
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com Institute for Computational Molecular Science College of Science and Technology Temple University, Philadelphia PA, USA.
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