Subject: QM calculate ALA dipeptide at room temperature

From: Qiang Lu <qiangl-.at.-uci.edu>
Date: Tue, 11 May 2004 15:43:35 -0700

Hi CCLers,

   Can I just calculate the frequencies of different conformation of
ALA dipeptide at room temperature using G03 to get the free energy
surface of phi/psi? Or does anyone know how to get the energy surface
of the ALA dipeptide at room temperature?

   Any suggestion would be helpful.

-- 
Best regards,
 Qiang Lu                         mailto:qiangl-.at.-uci.edu