AMBER Archive (2007)

Subject: Re: AMBER: Lone Pairs

From: David A. Case (case_at_scripps.edu)
Date: Tue Feb 13 2007 - 10:00:21 CST

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:

    http://amber.scripps.edu/dbase.html

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.

...dac

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