Re: [AMBER] adding/deleting water molecules in leap

From: Jason Swails <jason.swails.gmail.com> Date: Thu, 3 May 2012 18:59:55 -0400

--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
On May 3, 2012, at 7:33 AM, Bala subramanian <bala.biophysics.gmail.com> wrote:
> 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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