Dear All, I have a protein, the charged residue numbers in the protein is as following ARG 11 ASP 19 glu 25 his 8 lys 24 asp+glu= 44 arg+his+lys=43 However the total charge of the protein given by pdb2gmx is -9. Will you please introduce to me how pdb2gmx calculate the total charge of the protein? Cheers, Acoot
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