Polarization effect of gold cluster

From: Zhao Lina (lordlnzhao_at_gmail.com)
Date: Tue Feb 18 2014 - 06:20:20 CST

Dear all,

    I want to simulate gold cluster in my protein complex by NAMD. How
to consider the polarization effect of gold cluster? Can I utilize
CHARMM polarization FF if it exists?
    Or can I just ignore the polarization effect of gold cluster only
using L-J potential to simulate Au atoms? But how to support a proper
reason for doing that?

    Thanks a lot!

Best regards,

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