[gmx-users] membrane pre-equilibration

Kevin Boyd kevin.boyd at uconn.edu
Sun Oct 7 15:44:21 CEST 2018


Hi,

You should just use charmm-gui's built in functionality to insert the
protein, unless you have a good reason not to.

Kevin.

On Sun, Oct 7, 2018 at 7:23 AM Olga Press <pressol at post.bgu.ac.il> wrote:

>  Dear all,
> I'm new in the field of simulating membrane-protein system in gromacs by
> using charmm36-ff.
> I've used charmm-gui membrane builder to contract  pure DOPC bilayer and
> followed the "README" file.  Which analysis should I perform* before*
> embedding the protein into the membrane to ensure the
> membrane pre-equilibration? I would be happy if someone can refer me to
> protocol or links.
>
> Thank you.
> Olga
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