VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Wed Feb 27 2008 - 05:07:04 CST

On Wed, Feb 27, 2008 at 5:18 AM, Jennifer Williams
<Jennifer.Williams_at_ed.ac.uk> wrote:

jenny,

> molinfo top set {a b c alpha beta gamma} {46.4207, 43.6299, 18.9596 90
> 90 120}.
>
> Following this I can then use the periodic images tab on graphics>
> representations to increase the number of periodic images shown.
>
> However this only changes 1 frame of my trajectory. Does anyone know
> of a way of way (the simpler the better!) of applying this change to
> all of my frames? I have converted my HISTORY file to a pdb file

please have a look at the pbctools plugin (the one shipped with
VMD 1.8.6). there is a subcommand to 'pbc' that can set the
box for all frames.

cheers,
  axel.

> Thanks
>
> Jenny
>
>
>
>
> --
> The University of Edinburgh is a charitable body, registered in
> Scotland, with registration number SC005336.
>
>
>
> 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
  Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.