VMD-L Mailing List

From: Ignacio Fernández Galván (jellby_at_yahoo.com)
Date: Tue Jul 15 2008 - 09:52:07 CDT

--- On Sat, 7/6/08, Axel Kohlmeyer <akohlmey_at_cmm.chem.upenn.edu> wrote:

> the dipole vector of a molecule has no reference point
> (it is not a "point dipole") as its value is by
> definition translationary invariant.

That is true only if the molecule is not charged. If the molecule has a non-zero charge, the dipole is not invariant and it depends on the reference point.

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