AMBER Archive (2009)

Subject: Re: [AMBER] restraint angle

From: David A. Case (
Date: Tue Feb 17 2009 - 11:52:49 CST

On Tue, Feb 17, 2009, m m wrote:
> I would like to know if there is a way to fix one or more angle during
> LMOD simulation, also during MD.

You can use "NMR restraints" to add a penalty function that will keep a
given angle nearly fixed. See section 6.1 of the Users' Manual.


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