Re: AMBER: Restraint of atoms during minimization

From: David A. Case <>
Date: Tue, 22 Feb 2005 09:19:17 -0800

On Tue, Feb 22, 2005, L Jin wrote:
> It seems to me that the makeCHIR_RST command is used to generate dihedral
> restraint for amino acids only. But my molecule is a disaccharide. And I want
> to fix the two dihedral angles across the glycosidic linkages.

makeCHIR_RST is just a front end to simplify making raw sander input. For
unusual situations, just create the section FOUR input yourself; see p. 119
of the Users' Manual.


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Received on Tue Feb 22 2005 - 17:53:00 PST
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