VMD-L Mailing List

From: Alexandre A. Vakhrouchev (makaveli.lcf_at_gmail.com)
Date: Sat Jun 07 2008 - 07:21:55 CDT

Hi!

To which point of molecule does dipole moment corresponds? I'd like to
get angle between dipole vector and axis of nano channel, so should I
take geometric center of molecule or weighted one?

Thank you! 

-- 
Best regards,
Dr. Alexander Vakhrushev
Institute of Applied Mechanics
Dep. of Mech. and Phys.-Chem.
of heterogeneous mediums
UB of Russian Academy of Sciences
34 T. Baramzinoy St.
Izhevsk, Russia 426067
----------------------------------
С уважением,
 Вахрушев Александр Александрович
к.ф.-м.н., с.н.с.
Институт прикладной механики
Уральского Отделения
Российской Академии Наук
426067, г. Ижевск
ул. Т. Барамзиной 34
+7(3412)21-45-83