VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Thu Mar 20 2008 - 17:05:53 CDT

On Thu, 20 Mar 2008, Simone Melchionna wrote:

SM> Hi all,

hi simone,

SM> I am trying to visualize atoms with dynamically changing colors and used the
SM> script in
SM> http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/cpmd-vmd/part3.html#chap5_sect3

SM> However, when trying to visualize large number of atoms (~ 5000) vmd
SM> runs extremely slow. Above 10,000 atoms it seems to get stuck.

what kind of hardware do you have? particularly how much memory?
how many frames do you have. how do you compute/store the external
property?

SM> Is there a better way to attaching external properties e.g. by including
SM> them directly to the frames?

storing the per atom info into the user field is already what
you want. you have to keep in mind the total memory use.

cheers,
   axel.

SM>
SM> Thanks,
SM> Simone
SM>
SM> 

-- 
=======================================================================
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
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If you make something idiot-proof, the universe creates a better idiot.