D-amino acid protein - flip dihedrals?
Posted: 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
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