[AMBER] Lipid linked to a peptide

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From: Arnoult, Eric [JRDUS] <EArnoult.its.jnj.com>
Date: Tue, 7 Jul 2015 16:57:48 +0000

Dear AMBER users,

I'm interested to run an MD simulation for a non-native peptide. One of the residue is covalently linked to a lipid.
What should be the best approach to define the new non-natural residue?
Do I need to create two new residues (one for the amino acid linked to the lipid, one for the lipid) or just one for the amino acid bonded to the lipid?

Thanks
Best regards
Eric Arnoult

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Received on Tue Jul 07 2015 - 10:00:02 PDT