VMD-L Mailing List
From: surya narayanan chandrasekaran (sonofsunsurya_at_gmail.com)
Date: Tue Feb 11 2014 - 06:52:31 CST
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hi,
I have a complex surrounded by water and protein. i wanna look at the the
atom interacting with my molecule. I would like to extract the information
of coordinates interacting on the surface of the atom of my molecule. Then
i would like to extract the coordinates for it. for further doing QM/MM
calculation. Any idea in this regard is welcome.
-- Suryanarayanan C M.S Chemist 01742857830
- Next message: Norman Geist: "AW: reg extracting coordinates for first water shell."
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- Reply: Norman Geist: "AW: reg extracting coordinates for first water shell."
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