AMBER Archive (2007)

Subject: AMBER: Does amber use water density around 1 at room temperature

From: Li Su (suli_at_msu.edu)
Date: Tue Jan 23 2007 - 16:07:20 CST


Hi,
 Sorry to bother. I am just wondering whether amber is using water which has
density around 1 g/mm^3 when using leap to solvate by the command
solvatebox. Because I was trying to construct a box of pure water by
solvatebox of an empty unit. When setting boxside to be 34 or so, I get 853
water in it, which makes the density less than 0.7. Is it normal? If so.
Then, is tryint to contral the pressure will be the way for me to get the
density to be around 1? Thank you very much in advance!

 

Best,
Li

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