From: Axel Kohlmeyer (
Date: Thu Jun 28 2007 - 12:27:43 CDT

On Thu, 28 Jun 2007, lily jin wrote:

LJ> I use '$sel get charge', it seems that all atoms have zero charge.
LJ> How can I get the partial charge of an atom? Thanks!


VMD can only give you back, what you feed it.
you'll get the charge information, if you
read from a file format that contains this
information (e.g. .psf+.pdb or .parm7 + .pdb/.rst7...)

VMD itself has no pre-existing knowledge about
anything related to the 'chemistry' of your system.


LJ> Lily
LJ> ____________________________________________________________________________________
LJ> Get the Yahoo! toolbar and be alerted to new email wherever you're surfing.

Axel Kohlmeyer
   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.