Subject: Spartan ESP charge calculation

From: Emad Tajkhorshid <emad_at_ks.uiuc.edu>
Date: Tue, 22 Jul 2003 10:08:07 -0500 (CDT)

Hi,

Does anybody know what scheme (Merz-Kollman, Chelp, ChelpG, ...) is used 
by Spartan to choose points at which the electrostatic potential will be 
calculated and used for generating ESP charges? I could not find any 
explanation for such details in the help of the program. 

Thanx
Emad
------------------
Emad Tajkhorshid, Ph.D.        http://www.ks.uiuc.edu/~emad  
Assistant Director of Research
NIH Resource for Macromolecular Modeling and Bioinformatics

Theoretical and Computational Biophysics Group
Beckman Institute, 405 N. Mathews,  Urbana,  IL 61801,  USA
Tel:(217)244-4361 Fax:(217)244-6078 Email: emad_at_ks.uiuc.edu