Subject: OPLS parameters for carbohydrates

From: "Bruno Fong-Ponne" <[email-masked]>
Date: Thu, 11 Jan 1996 11:19:16 +0100

Hi all,

In order to do FREE ENERGY calculation I'm looking for opls parameters for
cyclodextrins with trifluoroacetyl substituents. The program used is BOSS under
sybyl 6.2 molecular modelling software. So all informations about the
method to calculate the LENNARD-JONES parameters : epsilon and sigma used by
the
BOSS program are welcome. All suggestions to do such calculations with sybyl
6.2 are warmly desired.

Thanks in advance for the help

Bruno Fong-Ponne

-- 
Bruno Fong-Ponne

LCOPS - bat 305
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