Re: [AMBER] deltaG binding obtained from AmberTools 12 and 13 are different

From: Jason Swails <jason.swails.gmail.com>
Date: Tue, 3 Sep 2013 11:06:20 -0400

On Tue, Sep 3, 2013 at 9:44 AM, Xioling Chuang <xioling_c.hotmail.com>wrote:

> Dear Jason,
>
> Thank you very much for your suggestions. If I would like to calculate
> using truncated normal mode estimation proposed by the Ryde group, how can
> I do?
>

I don't know. They use their own set of programs/scripts to handle it. I
would suggest reading their papers and/or visiting their website for hints.
 This is not implemented directly by any Amber programs, so it may be that
nobody that responds on this list knows.

Good luck,
Jason

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Tue Sep 03 2013 - 08:30:04 PDT
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