I'm not sure if this can be done with any of the gromacs tools, but using the linalg module from numpy library will help you. But be aware that a flip by 180 degrees is meaningful for you, but undistinguishable for the mathematical procedure. This issue can be more or less easily solved depending on your system.
Christopher 2010/1/11 Eudes Fileti <fil...@ufabc.edu.br>: > Dear gmx-users, > I have a molecule with two rings and would like to > calculate the angle between the normal vector of these rings. > Anyone have idea of how this can be done? > eef > ______________________________________ > Eudes Eterno Fileti > Centro de Ciências Naturais e Humanas > Universidade Federal do ABC — CCNH > Av. dos Estados, 5001 > Santo André - SP - Brasil > CEP 09210-971 > +55.11.4437-0196 > http://fileti.ufabc.edu.br > > -- > gmx-users mailing list gmx-us...@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
