[AMBER] Simulation of proteins with D-amino acids

From: nguerin <nguerin.cs.duke.edu>
Date: Mon, 07 Feb 2022 20:17:05 -0500

Dear Amber Community,

I've looked through the archives and I've seen some notes about some of
the protein forcefields are compatible with D-amino acids, but I didn't
find anything specific about whether there were special steps one has to
take to simulate protein systems with mixed D and L amino acid
chiralities. Are there?

One thing I've noticed is that programs like pdb4amber doesn't recognize
amino acid names like 'DLY' for D-lysine, so I've been changing the
names back to their L- versions.

Thank you for your help,

Nate Guerin
Duke University

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Received on Mon Feb 07 2022 - 17:30:02 PST
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