AMBER Archive (2002)

Subject: Stretching Constants

From: Daniel Flint (dflint_at_pugh.bip.bham.ac.uk)
Date: Thu Jan 17 2002 - 05:21:52 CST

Dear All,

I have IR values for the normal modes of my molecule. How do I convert
wavenumbers to kb and ktheta AMBER constants for bonds and angles
respectively.

e.g. 1500 cm-1 bond
         800 cm-1 angle

Thanks in advance,

Daniel Flint

email: dgf975_at_bham.ac.uk