[AMBER] Custom Residue Parameterization for Cyclic peptide

From: Zeyu Lin via AMBER <amber.ambermd.org>
Date: Wed, 18 Dec 2024 01:10:24 +0000

Hello Amber users,

I am working on a cyclic peptide, where the C terminal forms a thiolactone
with the side chain of cysteine residue. When I write the .mc document for
it, should I include the sulphur atom in OMIT_ATOM? Is there any other
thing special I should focus on? Thank you.

BW,
Zeyu
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Received on Tue Dec 17 2024 - 17:30:02 PST