Hi Quiting,
In an MD study, you don't 'simulate' any particular observable directly. You
obtain what you want from the space-time trajectory of your system. So
you'll have to figure a way to calculate (write code) the dipole moment for
your system!
-Neelanjana
On Wed, May 14, 2008 at 1:52 PM, Qiuting Hong <qiutinghong.gmail.com> wrote:
> Hi,
>
> Does anyone know how to simulate dipole moment as a function of time. I am
> using amber8.
> Thank you.
>
> Qiuting Hong
>
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Received on Sun May 18 2008 - 06:07:14 PDT
