[AMBER] atomic radii of ions

From: Xioling Chuang <xioling_c.hotmail.com>
Date: Fri, 23 Jul 2010 10:04:41 +0200

Dear All,

I have used amber9 to generate the topology files of poly(AT) neutralized with Na+ and K+ ions. As I have looked in the topologies, I found that at the flag "%FLAG RADII" the radii of both Na+ and K+ are 1.5. My questions are

1. Is this atomic radius of ion?

2. If yes, why both radii are the same?

3. How can we specify the radius for generating topology?


Thank you very much in advance for your kindness.




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Received on Fri Jul 23 2010 - 01:30:03 PDT
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