From: Jérôme Hénin (jhenin_at_vitae.cmm.upenn.edu)
Date: Thu Jul 20 2006 - 13:39:27 CDT
Hamsa,
VMD is the easiest way to go. When you load the DCD file in VMD, unit cell
information is read into the { a b c alpha beta gamma } parameters.
In the console, you could type
molinfo top get { a b c }
to retrieve the dimensions, for instance. You can also use it in a Tcl script
to do different things, or save the info to a text file.
Jerome
On Thursday 20 July 2006 12:34, Hamsa Priya Mohana sundaram wrote:
> Hi
>
> Could anyone please tell me how to extract unit cell information from
> dcd file.
>
> Thanks
> Hamsa
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