Dear Kshatresh,
In Amber, you can apply an external electric field using the efx, efy, or
efz parameter (mdin file) that defines the intensity of field in Kcal mol−1
Å−1 *e*−1
In the paper,
https://www.sciencedirect.com/science/article/pii/S0006349516302818 they
applied an external field with intensity *E* of 0.180 Kcal mol−1 Å−1 *e*−1
in the *z* axis.
The x,y and z directions state the direction of applied field.
Hope this helps.
Chetna
On Wed, Jul 24, 2019 at 6:15 AM Kshatresh Dutta Dubey <kshatresh.gmail.com>
wrote:
> Dear Users,
>
> I want to see how does Amber apply an external electric field during MD
> simulations. I will appreciate if someone could provide me some references
> where I can see the formulation and implementations of the external
> electric field.
>
> Best regards
> Kshatresh
> --
> With best regards
>
> ************************************************************************************************
> Dr. Kshatresh Dutta Dubey
> Department of Chemistry
> School of Natural Sciences
> Shiv Nadar University
> Gautam Budhha Nagar
> Uttar Pradesh-201314
> India
> _______________________________________________
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Best wishes
Chetna
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Received on Wed Jul 24 2019 - 05:00:02 PDT
