AMBER: grid output: bulk water density

From: mathew k varghese <>
Date: Fri, 25 May 2007 11:19:30 +0100 (BST)

Dear AMBER users,

I have a question about the determination of bulk water density from the grid output. In different papers and in mail list, the authors pointed out the countoring at 3x or 4x. How can we determine the bulk water density x? With 5000 frames of snapshots, I got different maximum isovalues for different systems. 122 in one system and 230 in another system. How can I correlate these isovalues with water density?

Thanks for the help in advance



Mathew K Varghese
Research Scholar
School of Pure and Applied Physics
Kottayam, Kerala


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Received on Sun May 27 2007 - 06:07:40 PDT
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