AMBER Archive (2008)

Subject: Re: AMBER: simulate dipole moment

From: Neelanjana Sengupta (senguptan_at_gmail.com)
Date: Wed May 14 2008 - 16:14:54 CDT

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_at_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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