Hi,
I want to modell the HbA1c (Hb with Galactose bound to the N-Terminal Val) N-Terminal residues.
I can't find a matching paramterset for the Galactose in the database. The to6-*-*-Galp.param is very close except that instead of the O6 atom, the C6 is bound to the N of the Val.
What is the best way to add the right parameters as a new residue type? Copy the to6-*-*-Galp.param files and modify just the atoms bound to the N or start from scratch?
How would the new *.param file look like?
Thanks a lot in advance,
Best regards,
Basti
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