I am sorry, I thought I had sent to the wrong email address. I am sorry so
much.
Best regards
On Thu, Sep 21, 2017 at 11:49 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:
> 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
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
> _______________________________________________
> AMBER mailing list
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> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Chính
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Received on Thu Sep 21 2017 - 10:00:03 PDT
