Subject: Q: MOPAC, ENPART.

From: Sergio Emanuel Galembeck <[email-masked]>
Date: Thu, 04 Jul 1996 17:26:26 -0200

Dear Netters,

	I need some references or pointers about the use of keyword 
ENPART on MOPAC to calculate energy of interaction between non-bonded 
atoms, and particulary hydrogen bonds. How this method compares with 
experimental results, and with other partition calculations (eg. 
Morokuma analysis for intermolecular interactions)? 

	There are some methods to calculate intramolecular interactions 
energies for semi-empirical and ab initio methods?

	Thank you for all responders,

		Sergio Emanuel Galembeck