VMD-L Mailing List

From: Alec Zander (alec.zander_at_gmail.com)
Date: Tue Aug 24 2021 - 13:01:21 CDT

Cool paper! I think your best bet is to write to the authors directly. They
seem to have done everything with in house Tcl scripts.

On Mon, Aug 23, 2021, 22:36 Ropon-Palacios G. <groponp_at_gmail.com> wrote:

> Dear users,
>
>
>
> I am trying to simulate a membrane protein system where it has a
> concentration difference on one side as well as the other, similar to the
> work of Professor JC Gumbart *“**Molecular dynamics simulations of
> membrane proteins under asymmetric ionic concentrations**”*
>
>
>
> My question is, how do I ionize or how do I place the ions on both sides
> with a difference in concentration? Could you please share a script to do
> this?.
>
>
>
> Best,
>
>
>
> Geo.
>
>
>
>
>
> --
>
> *Ropón-Palacios G. BSc., MSc. *
>
> Computational biophysicist,
>
> Associate Research,
>
> Laboratorio de Modelagem Computacional,
>
> Departamento de Ciências Exatas,
>
> Universidad Federal de Alfenas, Minas Gerais, Brasil.
>
> Phone: +51 935 055240.
>
> E-mail: groponp_at_gmail.com.
>
>
>
>
>
>
>
>
>