[gmx-users] genion -conc give the wrong number of multi-valent counter ion

[Quyen V. Vu]

Dear GMX developer,
I don't know this mailing list is suitable for posting issue or not, if
not- forgive me.

I want to report about gmx genion module

If i want to add concentration of salt by -conc option, it just correct for
monovalent salt (eg. NACL).

For multivalent salt(MGCL2), if I use -pname MG -nname CL -conc X -neutral
, it wil treat MG as monovanlent cation and give the wrong number of ions
add into my system, so  I have to use -np and -nn option to get correct the
number of ions.

Best regards
Quyen

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