AMBER Archive (2003)

Subject: Mg++ polarizability

From: Robert Duke (rduke_at_nc.rr.com)
Date: Tue Jun 03 2003 - 06:39:25 CDT

Does anyone know the origin of the polarizability value for Mg++ in
parm99.dat? (0.120 ang **3) I have not been able to find any references
supporting this value, but have found one value that is substantially
different. I am trying to put together a consistent collection of
polarizability values that would include other divalent cations.
Thanks -
Bob Duke
UNC-Chapel Hill Chem Dept