From: Margaret Shun Cheung (mscheung_at_ipst.umd.edu)
Date: Tue Apr 04 2006 - 12:08:01 CDT
Dear NAMD users,
I wonder how to justify or determine the water density in a water sphere with a
solvated protein (not in a periodic boundary conditions). I got a system
padded with water molecules (instructed by the
tutorial) but that seems unlikely to secure the water density in the
simulations... If there is another way to get around with it, please share
me with your insights. Thank you very much.
Sincerely,
Margaret S. Cheung,
Ph. D. Postdoctoral Fellow,
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Room 2117 Tel: (301) 405-4892
Inst. for Phys. Sci. & Tech. Fax: (301) 314-9404
University of Maryland http://glue.umd.edu/~mscheung
College Park, MD 20742-2431 email: mscheung_at_ipst.umd.edu
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