Re: AMBER: Lone Pairs

From: David A. Case <>
Date: Tue, 13 Feb 2007 08:00:21 -0800

On Tue, Feb 13, 2007, Beale, John wrote:
> Thank you. Where can I access leaprc.ff02po1EP.r1? It doesn't appear to
> be part of the AMBER 8.0 distribution.

You can get the Amber 9 paramters from the Amber web site:

I am hoping that you took my earlier warning seriously: you should
expect to have to make modifications to these parameters if you expect
good results. They are not ready yet for routine use.


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Received on Wed Feb 14 2007 - 06:07:41 PST
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