Hi Jisha,
See if this Tutorial helps you:
http://ambermd.org/tutorials/advanced/tutorial20/
Regards
Abhilash
On Sat, Oct 17, 2020 at 6:23 AM Jisha B <jisha.b.k0511.gmail.com> wrote:
> Could someone please help with this. Has anyone worked on anything similar.
> Any guidance would be helpful
>
> On Fri, 16 Oct 2020 at 03:40, Jisha B <jisha.b.k0511.gmail.com> wrote:
>
> > Dear all,
> > I have a protein which has a two metal activation where in it requires
> two
> > catalytically active magnesium ions. Since there are no crystal
> structures
> > with the magnesium ions, I would have to place them based on the
> > information from literature where in they have said which amino acids
> > interact with the metal ions. What would be the right strategy to include
> > the metal ions into the system before proceeding to the simulation? Also
> is
> > there any method to ensure that the ion stays within the system and not
> > move out during the course of the simulation. Any suggestions would be
> > helpful
> >
> > Thank you.
> > Jisha
> >
> >
> >
>
> --
> Jisha B.
> G-Tech Computer Education,
> Kerala,
> India.
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Received on Sat Oct 17 2020 - 15:00:03 PDT
