On Wed, Aug 10, 2016, Chitrak Gupta wrote:
>
> I am trying to parameterize a novel amino acid, to be used as a part of a
> peptide.
>
> I tried using antechamber, but the program could not match the patching
> atoms. Is antechamber only for organic molecules, i.e. should I be using
> something else for parameterizine amino acids? Or is there a way to get
> anterchamber to match the patching atoms?
The procedure for using antechamber to parameterize a modified amino acid
(intended to be a part of a peptide) is different from that used for molecules
that are not covalently linked to something else. See tutorial B5 for an
walk-through of creating modified amino acids.
If you have trouble, please try to provide details: I don't recognize
the phrase "could not match the patching atoms".
...dac
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Received on Thu Aug 11 2016 - 05:30:03 PDT
