On Dec 13, 2012, at 11:00 AM, Ed Pozharski <epozh...@umaryland.edu> wrote:
> I am not a perfectionist by > any measure, but deliberately not placing water molecules that you can > place because it "does not make biological difference" can hardly be > justified. Hello Ed, As an admitted water adder I couldn't agree more with your sentiment. If something is worth doing then it is worth doing well. I want my model to be the best possible representation of the experimentally measured data... even if that lonely water 16Ang away from the active site will never be looked upon by human eyes. Scott
