AMBER Archive (2005)

Subject: AMBER: Modeling of a radical

From: L Jin (s0344557_at_sms.ed.ac.uk)
Date: Thu Jul 14 2005 - 05:46:20 CDT


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.

Lan

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