D-amino acid protein - flip dihedrals?

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Daniel Konstantinovsky
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D-amino acid protein - flip dihedrals?

Post by Daniel Konstantinovsky » Tue Mar 22, 2022 8:00 am

Hi OpenMM,

I want to do a simulation of a D-amino acid protein with the Amber force field in OpenMM. I realized that to do it completely correctly, I might need to flip some dihedral parameters in the protein.ff14SB.xml file. Is this true and if so what do I need to change and how?

Thank you!
Dan
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