Re: [AMBER] Freezing the angle during the simulation

From: Jason Swails <>
Date: Mon, 18 Nov 2013 08:19:36 -0500

On Mon, 2013-11-18 at 18:27 +0530, anu chandra wrote:
> Dear Amber users,
> I am working with protein-ligand system and I am using amber 11 for
> simulation. I would like to freeze a particular angle between three
> aminoacid residues to restrict some specific movement of a helix during the
> entire simulation. How can proceed ahead with creating an Sander input for
> such a simulation? Waiting for your valuable reply.

Look in chapter 6 of the Amber manual where it describes NMR restraints.

Good luck,

Jason M. Swails
Rutgers University
Postdoctoral Researcher
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Received on Mon Nov 18 2013 - 05:30:02 PST
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