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

From: Jason Swails <>
Date: Tue, 3 Sep 2013 11:06:20 -0400

On Tue, Sep 3, 2013 at 9:44 AM, Xioling Chuang <>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 M. Swails
Rutgers University
Postdoctoral Researcher
AMBER mailing list
Received on Tue Sep 03 2013 - 08:30:04 PDT
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