AMBER Archive (2007)

Subject: Re: AMBER: How to apply psuedo-bonds for restraints

From: Seth Lilavivat (sethl_at_gatech.edu)
Date: Thu Dec 06 2007 - 10:08:55 CST

I was not aware of a way to apply NMR torsion restraints between two
different residues. But please correct me if I am wrong.

Thanks,
Seth

On 12/5/07, David A. Case <case_at_scripps.edu> wrote:
> On Wed, Dec 05, 2007, Seth Lilavivat wrote:
> >
> > I want to add specific inter-residue restaints in the form of a
> > torsion angle of a psuedo-bond.
>
> You pretty much need to use the "NMR" restraints here.
>
>
> > Is there a way to specify specific residue and atom names in a
> > frcmod file?
>
> No...frcmod files just have atom types, not specific residues and atoms.
>
> ...dac
>
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