AMBER: Modeling of a radical

From: L Jin <>
Date: Thu, 14 Jul 2005 11:46:20 +0100

Dear AMBER users,

Is it possible to model a radical with AMBER 7? The unpaired electron is on the
place of N-O'. How can I represent this when preparing this residue in leap? And
can I just set the net charge of this residue to zero when calculating the atom
charge for the structure? Many thanks for any suggestion in advance.


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Received on Thu Jul 14 2005 - 11:53:00 PDT
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