Re: [AMBER] dftb_chg not working

From: David Sáez <davidsaez.udec.cl>
Date: Mon, 29 Jan 2018 13:18:53 +0100

Ok, I already solved it. Fixed the printcharges variable.

On Mon, Jan 29, 2018 at 12:54 PM, David Sáez <davidsaez.udec.cl> wrote:

> Hi, I am using sander in Amber16. For the QM/MM calculations using dftb3,
> I included the parameter dftb_chg=0 but it does not print the Mulliken
> charges to the output file. How can I turn the printing on?
>
> Thanks for your help.
>
> Saludos.
>
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Received on Mon Jan 29 2018 - 04:30:02 PST
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