VMD-L Mailing List
From: pascal boulet (pascal.boulet_at_univ-provence.fr)
Date: Thu Jan 20 2011 - 15:47:44 CST
- Next message: Nima Nouri: "Re: draw bond across cell boudary"
- Previous message: Lisa Brown: "question from a tutorial"
- Next in thread: Nima Nouri: "Re: draw bond across cell boudary"
- Reply: Nima Nouri: "Re: draw bond across cell boudary"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
Dear all,
I have a periodic structure of a solid compound. I calculated the ELF
and stored it in a cube file to visualize the function with VMD.
The atoms I am interested in are located at the boudary of the unit cell
and I would like to draw a bond between two atoms located in two
different cells. When I do it the bond appears inside the "original"
unit cell and not across the cell boundary. Is there a way to enforce
the bond across the boundary?
Thanks for your help,
Pascal
-- Dr. pascal Boulet, computational chemist University of Aix-Marseille I Laboratoire Chimie Provence, UMR 6264 Group of Theoretical Chemistry Avenue Normandie-Niemen 13397 Marseille Cedex 20 France ********** Tel. (+33) (0)491.63.71.17 Fax. (+33) (0)491.63.71.11 ********** http://www.lc-provence.fr https://sites.google.com/a/univ-provence.fr/pb-comput-chem %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
- Next message: Nima Nouri: "Re: draw bond across cell boudary"
- Previous message: Lisa Brown: "question from a tutorial"
- Next in thread: Nima Nouri: "Re: draw bond across cell boudary"
- Reply: Nima Nouri: "Re: draw bond across cell boudary"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]