VMD-L Mailing List
From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Jul 17 2013 - 02:31:04 CDT
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On Mon, Jul 15, 2013 at 9:44 PM, Andrei Tudor <andrei.tudor.1_at_ulaval.ca> wrote:
> Hello,
>
> I would like to know if it is possible to combine the occupancy maps obtained with volmap from multiple trajectories.
> I have looked on the help page, but I didn't find any info regarding this.
don't think so. a long time ago, i wrote a little tool that can
combine multiple .cube files (which are used for density or potential
maps in quantum chemistry). you should be able to save or convert the
volume maps into cube format and use that tool. let me know and i'll
dig it out and e-mail it to you
since the .dx format usually written by VMD is fairly
straightforward, it should also be possible to write such a tool
yourself with whatever script language you are familiar with.
axel.
>
> Thank you,
> Andrei
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0 International Centre for Theoretical Physics, Trieste. Italy.
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