Please do not duplicate the email, just only 9 hours from your 1st post.
Hai
On Thu, Sep 21, 2017 at 12:26 PM, Lê Ngọc Chính <lengocchinh2306.gmail.com>
wrote:
> Dear Amber developer
>
> I have a question for you. In step 2 and step 3, after QM optimization of
> the small model, there were some changes in the position of the atoms.
> These changes have strong impact to perform MK charge, but QM inputs which
> were made from the step 1 did not depend on each other (the large and the
> small model). Is there a keywords or a way to regenerate the QM input for
> large model automatically after QM optimization for the small model? Or I
> must modify it by hand??
> --
> Best regards
> Chính
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Received on Thu Sep 21 2017 - 10:00:02 PDT
