[gmx-users] Cyclic peptide with ester linkage

[Chunlei ZHANG]

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
peptide.

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

Thanks in advance.

Chunlei