Subject: Pi-SCF in CHARMM

From: sergiusz kwasniewski <[email-masked]>
Date: Mon, 29 Oct 2001 10:11:45 +0100 (MET)

Hi,

does anyone know whether a Pi-SCF calculation is possible with the CHARMM force
field ? Or is it not parametrized to be used for such calculations, as e.g. MM3
does ?

Thanks in advance

Serge

___________________________________________________

	Sergiusz Kwasniewski
	LUC SBG/TS
	Universitaire Campus Gebouw D
	3590 Diepenbeek
	BELGIUM

	tel(direct): 032 (0)11/268315
	fax	   : 032 (0)11/268301
	email      : [email-masked]
	http://www.luc.ac.be/Research/TheoChem
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