Calculation of IR spectra using VMD IRspec Plug-in

From: Mikhail Suyetin (
Date: Thu Feb 17 2011 - 01:22:00 CST

Dear Users,
 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.

Sincerely yours,
Mikhail Suyetin

This archive was generated by hypermail 2.1.6 : Mon Dec 31 2012 - 23:19:51 CST