[AMBER] adding/deleting water molecules in leap

From: Bala subramanian <bala.biophysics.gmail.com>
Date: Thu, 3 May 2012 13:33:13 +0200

Friends,
I am trying to create a solvent box with a particular number of water
molecules (5800) around the protein. I have tried different buffer size
around the protein so as to get the number of water molecules close to what
i need and it resulted in 5798 water molecules. I would like to know if
there is any way to add the extra two or three water molecules in leap or
to delete extra water molecules from my system.

Thanks,
Bala 
-- 
C. Balasubramanian
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Received on Thu May 03 2012 - 05:00:03 PDT
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