Re: [AMBER] How to make a nonequilibrium molecular dynamics on an external force field like electromagnetic or microwave?

From: Jason Swails <jason.swails.gmail.com>
Date: Sun, 26 Jan 2014 10:03:44 -0500

On Sun, Jan 26, 2014 at 4:18 AM, 张明焜 <zhangmk69.gmail.com> wrote:

> Hellow specialist:
>
>
>
> I want to make a nonequilibrium molecular dynamics about
> biomolecules under external electromagnetic force field or low frequency
> microwave effect. Does AMBER has any method to add a external force field
> like electromagnetic field or microwave effect?
>

Not without changing the code. There are packages that make it
considerably easier to implement an external force like this (like OpenMM),
so I would suggest looking into such alternatives. That is, unless you
want to get your hands dirty hacking through the sander or pmemd code.

Good luck,
Jason
​​
-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Sun Jan 26 2014 - 07:30:04 PST
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