[gmx-developers] membrane protein

[Erik Lindahl]

audrey herr wrote:

> Hi my name is Audrey,
>
> I have not downloaded Gromacs yet, i would like to know before if it 
> provides an easy way and most of all appropriate way to deal with 
> membrane proteins?
>
> If yes, i would really be interested in a person to contact or/and 
> some information about it.
>
> Cheers,
>
> Audrey HERR
>
Hi Aydrey,

Sure, there are plenty of people simulating membrane proteins with 
Gromacs. Graham Smith even wrote a program to create the hole in a 
membrane to insert a protein (it's available in the contributions 
section on www.gromacs.org).

I'd suggest using gmx-users to ask questions, since this list in mainly 
intended for people hacking the code.

I can't really vouch for it being 'easy' - membrane proteins are by 
definition kind of complicated, and you have to be careful during 
equilibration so you don't destroy the structure... but that probably 
applies to any simulation program!

Cheers,

Erik