VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Apr 13 2006 - 00:09:46 CDT
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Hi,
Presently, VMD only calculates the intra-cell distance between
atoms, and will not return the (potentially many) other possible
inter-cell distances between two atoms. If you want to calculate
the distance between two periodic images, you'll have to calculate
and use the unit cell basis vectors to translate the atom coordinates
according to which periodic image instance you intend to measure against.
Does that make sense?
John Stone
vmd_at_ks.uiuc.edu
On Tue, Apr 11, 2006 at 04:02:37PM -0400, dimka wrote:
> I can measure the distance between two atoms that are located in
> adjacent pbc images using mouse, but how do i do this through the
> command line?
>
> -dima
-- NIH Resource for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801 Email: johns_at_ks.uiuc.edu Phone: 217-244-3349 WWW: http://www.ks.uiuc.edu/~johns/ Fax: 217-244-6078
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