AMBER Archive (2009)
Subject: Re: [AMBER] parameter files for D-amino acid
From: FyD (fyd_at_q4md-forcefieldtools.org)
Date: Thu Feb 05 2009 - 09:00:55 CST
> There are some discussions in this forum regarding the D amino acid
> incorporation into the protein. But there is no clear definition for
> setting up parameters in ff99sb. Can someone give suggestion on this
I think you just use a D-amino acid as you would use a L-amino acid.
LEaP does not differentiate enantiomers or even diastereoisomers...
Recognition is only based on the atom names and residue name available
in the force field library. That's it.
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