VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_vitae.cmm.upenn.edu)
Date: Mon Feb 20 2006 - 19:13:49 CST

On Sun, 19 Feb 2006, Younes Ansari wrote:

YA> dear Sir:
YA> I am trying to define the Hg atom in the .vmdrc using:
YA>
YA> set sel [atomselect top "name HG'']
YA> $sel set radius 1.9
YA>
YA> but no changes appears while I am trying to see the difference between Hg
YA> and H atom(VDW).
YA>
YA> Would you please tell me what exactly to do?

it does not work like this. whatever you put in .vmdrc will be only
executed one during the initial startup of VMD. you need to hook into
the process of loading a molecule, for example by tracing
vmd_initialize_structure. for an example, see:
http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/cpmd-vmd/part7.html#chap9_sect3

regards,
   axel.

YA>
YA>
YA> THANKS................
YA> 

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