I have to use certain concentration of ethanol/water mixture for my protein
model. I couldn't find ethanol solvatebox in amber. so I randomly added
desired number of ethanol molecules to a given box size (using packmol).
But now the problem is when I add water solvatebox (tip3p), ethanols also
consider as a part of the solute and count the distance for boundaries from
ethanol molecules making the box size much larger which I do not want.
Appreciate if any one can guide me to solve this problem. Thank you.
Chinthaka
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Received on Sun Dec 16 2012 - 21:30:02 PST
