AMBER Archive (2005)

Subject: Re: AMBER: Restraint of atoms during minimization

From: David A. Case (case_at_scripps.edu)
Date: Tue Feb 22 2005 - 11:19:17 CST


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.

...dac

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