Subject: Convergent Lattice Sum for Lennard-Jones terms

From: bruno manunza <[email-masked]>
Date: Wed, 24 Dec 1997 15:42:41 +0100

I've heard about the use of convergent lattice sum for Lennard Jones
terms in MD computations. This should have been done by Willians some
decade ago. As far as I know, I don't remember MD simulations involving
the use of such technique, as well as I do not know of any largely used
MD software which implements it. Probably this is due to the peculiar
short range nature of the LJ interactions which make this correction
less important than the use of ewald sums for coulombic forces. Am I
wrong?
Do anyone has some considerations at this regard or can suggest some
readings on this subject?

Thanks a lot
Bruno 
-- 
Dr Bruno Manunza
DISAABA
Univ. of Sassari
V.le Italia 39
07100 Sassari ITALY
phone	39 79 229215
fax	39 79 229276
e_mail	[email-masked]
http://antas.agraria.uniss.it