Sunil Thapa wrote:
Respectable Mark
I am studying diffusion of oxygen in water. Can I specify the number of
water molecules for a particular size of box. For example, I need to
have 98 water molecules and 2 oxygen molecules in one solution. After
that I need to increase the number of oxygen molecules and decrease the
number of water molecules, viz, 10 oxygen molecules and 90 water molecules.
What i have found so far is that genbox adds the number of water
molecules according to the size of the box. For cubical box of 1.5nm it
adds about 110 water molecules.
Your help would be very helpful in this regard.
genbox -h
shows you that there is an option
genbox -maxsol
Sunil Kumar Thapa
Tribhuvan University, Nepal
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