Hi all,

I need to do a molecular simulation for 1EVQ protein which contains TRS. Some Literature reviews show that TRS could be a buffer. On the other hand, I know that in preparation of a protein for MD simulation some components such as water, ions, and solvents are eliminated from the structure. My question is that this is the same for the TRS or should it be dealt with as a ligand?

Best regards,

Bahareh