VMD-L Mailing List
From: Francesco Pietra (chiendarret_at_gmail.com)
Date: Wed May 09 2012 - 15:08:09 CDT
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Is it a way with VMD to add-H to O-atoms (for crystallization water),
having already added Hs to the protein by the way of REDUCE?
The crystallization water is expected to form an intricate network of
H-bonds with the protein.
I tried with molefacture by selecting the O-atoms, but they were too many.
thanks
francesco pietra
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