Re: [AMBER] Angle restraints

From: David A Case <>
Date: Fri, 27 Apr 2012 10:10:47 -0400

On Fri, Apr 27, 2012, Komal Soni wrote:
> I want to add some "angle restraints" during the simulation and I am unable
> to understand how to do it from the Manual. Also, what would be the map
> file and the 5-column (in case of torsion restraints) or 7-column (in case
> of distance restraints) file?

Angle restraints are rather unusual, so you should use the "raw" format
outlined in the "Distance, angle and torsional restraints" scection. Look
especially at the "restraint" keywork, with offers a simplified way
of writing these. There are examples of angle restraints there.


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Received on Fri Apr 27 2012 - 07:30:02 PDT
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