[AMBER] average mulliken charges

From: Thakur, Abhishek <axt651.miami.edu>
Date: Mon, 7 Jan 2019 16:50:35 +0000

Hi everyone,

I have been calculating mulliken charges for my QM region atoms in QM/MM calculations.

Is there any way that at the end it prints average mulliken charges for each atom simulation? Or is there any other option to do it?

Any suggestion will be of great help.

Thanking you,

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Received on Mon Jan 07 2019 - 09:00:02 PST
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