[gmx-users] pdb file ???

[Chih-Ying Lin]

Hi
It is the water-molecule system.
For a molecule, like  R-N(CH3)3-Br,  I could make a pdb file  either
include Br ion or exclude Br ion.

If I exclude Br ion, I have to make Br ion as the counter ion for my system.
If I include Br ion, I do NOT have to make Br ion as the counter ion
since it will automatically become the counter ion.
Am I right?


Thank you
Lin