[gmx-users] genbox

[Sunil Thapa]

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.
 
Sunil Kumar Thapa
Tribhuvan University, Nepal
 


      
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