[gmx-users] System Charge

[Quyen V. Vu]

Hi, you can calculate exactly the number of each atom types to add to the
system by option -np -nn
I also encounter problem with genion module when I try to add multivalent
salt to my system ( e.g MgCl2) It treat Mg as monovalent and add to my
system, then in grompp step, grompp prompt that my system is not neutral.
In my opinion, your system must be neutral if you use PME to calculate
coulomb potential

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