[gmx-users] generating a box containing NaOH + water
Mark.Abraham at anu.edu.au
Fri Dec 28 09:08:01 CET 2007
Subhrangshu Supakar wrote:
> Hi All,
> Can somebody help me in generating a box containing NaOH + water for
> studying the interaction of a small molecule with this solvent?
Well you might to this by using genion on a box of water, but first you
should take care to find a suitable model of hydroxide ion, since I'm
not aware of a commonly-used forcefield that has one.
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