[gmx-users] Cyclic peptide with ester linkage

Chunlei ZHANG chunleizhang.pku at gmail.com
Mon Oct 19 15:29:44 CEST 2015

Dear All,

I have a 14-residue cyclic peptide, the carboxyl end forms an ester bond
with an hydroxyl group in the side chain of a N-terminal residue.
I want to use AMBER force field (e.g. AMBER99SB-ildn) to simulate this

Does anyone have experience in developing force field parameters for this
type of cyclic peptide?

Thanks in advance.


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