[gmx-users] generating a box containing NaOH + water

Mark Abraham 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.

Mark



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