AMBER Archive (2008)

Subject: AMBER: mulliken charges in QM/MM calculation

From: Barbault Florent (
Date: Sun Sep 14 2008 - 03:26:25 CDT


I am making QM/MM MD simulations with amber 9. I would like to know if
it is possible to save, at each MD step, the Mulliken charges of the
QM area? Any help will be appreciate.

Thanks in advance
Florent Barbault
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