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
> www.rcsb.org/ligand/LLP
LLP is not a "non-standard [amino-acid] residue", but appears to be a
non-covalent ligand. For such a ligand, look here:
http://ambermd.org/tutorials/basic/tutorial4b/index.html
If you indeed have a non-standard amino acid, the most relevant tutorial is
here:
http://ambermd.org/tutorials/basic/tutorial5/index.htm
The workflow for non-standard residues is more complex, and we (Amber
developers) need to work on making it more straightforward.
....dac
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Received on Wed Oct 10 2018 - 05:00:02 PDT
