Re: [AMBER] Unkown residue to AMBER

From: David A Case <>
Date: Wed, 10 Oct 2018 07:31:27 -0400

On Wed, Oct 10, 2018, Keiran Corbett wrote:

> What do people think is the best way of dealing with non-standard residue
> in Amber-tools18 specifically tleap
> For example a protein containing a molecule like

LLP is not a "non-standard [amino-acid] residue", but appears to be a
non-covalent ligand. For such a ligand, look here:

If you indeed have a non-standard amino acid, the most relevant tutorial is

The workflow for non-standard residues is more complex, and we (Amber
developers) need to work on making it more straightforward.


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Received on Wed Oct 10 2018 - 05:00:02 PDT
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