From: Axel Kohlmeyer (
Date: Fri Sep 08 2006 - 12:10:54 CDT

On Fri, 8 Sep 2006, L. Michel Espinoza-Fonseca wrote:

ME> Hi all,
ME> Does anybody know how to calculate and visualize the dipole moment of
ME> a protein with VMD?

yes. create a selection and do:

set dipole [measure dipole $selection]
you'll need VMD-1.8.5. it has not yet been documented
and the API may change slightly in the next release.

note, that you have to load the corresponding topology
containing (partial) charges first...


ME> Thanks!
ME> Michel

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.