Subject: ESP charges

From: Daniela Dogaru <d.dogaru~at~csuohio.edu>
Date: Tue, 04 Nov 2003 12:36:09 -0500

Dear all,
I have a question regarding the ESP charges which are used in OPLS 
parameters from MD programs like Gromacs .  I got some discrepancies 
between the OPLS charges I calculate with Gaussian and the ones that 
are implemented in Gromacs force field , for Tyrosine residue.
What do you think will be the problem?
My best wishes!
Daniela