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N-Terminal Galactose

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N-Terminal Galactose


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,


GalVal.pdb1.43 KB
GalVal.png200.2 KB
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Mon, 2022-11-21 08:33