From: Mikhail Suyetin (msuyetin_at_gmail.com)
Date: Thu Feb 17 2011 - 01:22:00 CST
I've got a question how to calculate IR spectra of carbon nanotube
using VMD IRspec Plug-in. It needs charges to form dipole, but C atoms
in nanotube have no charges.
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:56:40 CST