VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Thu Oct 02 2008 - 10:57:45 CDT

On Thu, 2 Oct 2008, markus.mooslechner_at_chello.at wrote:

MM> hi everyone!

hi markus,

MM> i would like to do a volumetric image of two atoms in the same
MM> molecule. now, if i render the volumetric map first for atom1 and
MM> then for atom2, vmd crashes. other than that vmd seems very slow

please explain in more detail the procedure that makes VMD crash.
could it be, that you are simply running out of memory?

speed of VMD depends a lot on the CPU and graphics processor
(and driver).

MM> with two separate volumetric maps. any ideas/workarounds? ps: if i

you can load multiple volumetric data sets into the same molecule.

MM> render a volumetric map to disc and would like to use it in a later
MM> project, where do i load it ? do i have to put it in a specific

you can save generated volumetric data sets to .dx files.
VMD has a reader for that format.

cheers,
   axel.

MM> folder?

MM>
MM> thanx
MM> 

-- 
=======================================================================
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.