> Dear All who may concern,
> I have some questions for the charge calculation in Gromacs, I used
> the
> forcefied ffG43a1 for the protein and inhibitors. Does the charge for the
> protein is the charge per residue?
The charge on a residue is the sum of the charges on the (united) atoms
that
Dear All who may concern, I have some questions for the
charge calculation in Gromacs, I used the forcefied ffG43a1 for the
protein and inhibitors. Does the charge for the protein is the charge
per residue? This forcefield is just for the polar H, right? For the
nonpolar H, it will merge the H
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