Re: [AMBER] doubt in alanine scanning of phosphorylated residue

From: Jason Swails <>
Date: Mon, 23 Dec 2013 08:44:55 -0500

> On Dec 23, 2013, at 5:39 AM, suma jayakrishnan <> wrote:
> Dear AMBER users,
> Is it possible to do computational alanine scanning of
> phosphorylated residues using alanine scanning code in amber11? I
> tried the alanine scanning methods for calculating the binding free
> energy when phosphorylated serine mutated to alanine, but it gives
> error. How can I over come this problem? Is there any other method for
> doing this?

The current code does not support this. If you can understand what is being done inside then you can add code to handle phosphorylated residues.


Jason M. Swails
Rutgers University
Postdoctoral Researcher
AMBER mailing list
Received on Mon Dec 23 2013 - 06:00:03 PST
Custom Search