AMBER: MNDO parameters for Mg+2

From: E.M. <>
Date: Wed, 19 Mar 2008 11:28:09 -0600

Hello Amber developers

I am trying to do a simulation in which I make use of
MNDO to compute the quantum mechanical part of
a small system.

I would like to know in what part of the code I can find
the MNDO definitions.

I tried to use PM3 instead, but MNDO is the one that
does a better job in my system.
Any ideas would be appreciated

Eduardo Mendez
U of S and so forth
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Received on Fri Apr 18 2008 - 21:12:20 PDT
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