Dear Glycam users,
I'm trying to simulate a simple glycan with Amber 16, but it contains neuraminic acid (i.e. non-acetylated Neu5Ac). As far as I understand, there are no parameters for this in the glycam06 force field. I asked over at the Amber mailing list, and Lachele very helpfully told me about the glycam mailing list. She suggested that probably I only need the partial charges for the molecule. Does anyone perhaps have them, or can anyone help me in calculating them?
Thank you very much,