[gmx-users] PH 5.0 ?

[Chih-Ying Lin]

HI
How to assign charge for the residue of protein at PH 5.0 ?

I have Ka values of each residue of protein then i can calculate the overall
charge for each residue at PH 5.0 solution.

However, how to calculate the partial charges of atoms within the residue of
protein at PH 5.0?

Thank you
Lin
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