Using parent ligand for non-standard residues

GROMACS version:2019
GROMACS modification: No
Dear all,

I need to do a molecular simulation for a protein (1EVQ PDB code) including non-standard MSE residue. Please let me know if I will have realistic results if I use its parent amino acid (MET) instead? The predefined force fields do not support the MSE.

Best regards,
Bahareh

Selenomethionine is often a non-biological substituent used to obtain better diffraction. You’ll have to investigate what was done to your particular protein, but perhaps the residue is natively MET instead of MSE.

Thank you very much!