Dera Matias,
Thanks for your reply.
From what I have understood, the efx, efy, efz values are constant values (and not variables by the position) that produce uniform electric field.
However, what I want is to apply a customized nonuniform electric field, which changes with position.
I guess I have to edit some subroutines for this matter.
Just wondering if I can modify the subroutine, and what files exactly?
Best,
Mohammad
> On Jul 6, 2019, at 3:22 PM, Matias Machado <mmachado.pasteur.edu.uy> wrote:
>
> Dear Mohammad,
>
> Did you mean "electric field"?
>
> In which case, check for keywords efx, efy, efz, efn, efphase, effreq in the AMBER 2019 Reference Manual [http://ambermd.org/doc12/Amber19.pdf]
>
> Best,
>
> Matias
>
> ------------------------------------
> PhD.
> Researcher at Biomolecular Simulations Lab.
> Institut Pasteur de Montevideo | Uruguay
> [http://pasteur.uy/en/labs/biomolecular-simulations-laboratory]
> [http://www.sirahff.com]
>
> ----- Mensaje original -----
> De: "Mohammad Hassan Khatami" <MohammadHassan.Khatami.uoit.ca>
> Para: "AMBER Mailing List" <amber.ambermd.org>
> Enviados: Sábado, 6 de Julio 2019 10:59:49
> Asunto: [AMBER] Adding external forces to amber
>
> Hello there,
> I am a GROMACS user, and I am new to amber environment.
> I am just wondering if it is possible to add external forces to AMBER? I know how to do it in GROMACS, but I want to know if it is possible in AMBER, too? Which file should I change for it?
> Basically the force is an electric force, which is in homogeneous (not constant).
> I searched a lot for it but did not find any clear answer.
> Could you please help me with it?
>
> Best,
> MH
>
>
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Received on Sat Jul 06 2019 - 13:00:02 PDT
