Subject: MNDO charges

From: [email-masked] (Brad Isbister)
Date: Tue, 14 Jun 94 11:17:11 -0400

Netters,

I'm looking for someone who can help me with partial charges for a few
carbohydrates.  In the literature I have found that the MNDO method is used for
calculation of partial charges.  Other methods I have available(SYBYL) are
unsatisfactory.

I'd rather not go through the (download/compile/learn) cycle for just two
molecules.  If anyone is willing to calculate charges for sucrose and
trehalose, I'd GREATLY appreciate it.  If I missed these partial charges in my
glance at the literature, please give me a pointer.

Please reply directly.
Compensation with a six-pack of lager or indentured servitude.

Thanks for your help,
-Brad
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Brad Isbister					Duke University
[email-masked]				Department of Chemistry
Computational/Biophysical chemistry		E.J. Toone group