AMBER Archive (2008)

Subject: AMBER: Simulating complexes with magnesium atoms

From: Sasha Buzko (obuzko_at_ucla.edu)
Date: Tue Jun 10 2008 - 16:32:13 CDT

Hi all,
We have a need to include a coordinated magnesium atom in a protein
kinase-ATP complex. I've seen some posts on the subject in the past, but
I wonder what is the currently recommended approach to this issue? Have
there been any changes/additions to the force fields lately?
Thanks for any suggestions.

Cheers

Sasha

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