[gmx-users] simulation of membrane protein
Sarath Chandra Dantu
dsarath at gwdg.de
Wed Dec 22 12:09:37 CET 2010
On Wed, Dec 22, 2010 at 11:23 AM, shikha agarwal <shikhaiiitabi at gmail.com>wrote:
> I am trying to simulate a theorical model of a membrane protein in explicit
> lipid bilayer membrane environment (DMPC or POPC), I have the pdb
> files of this protein and membrane , I have to topolies files this
> lipids (dmpc.ip or popc.itp).
> How we can create merged topology of lipid and protein and do simulation
> step by step.
>
Do you want to embed the protein in the lipid membrane? For that you can use
g_membed. For a step-by-step How to do membrane simulation refer to the link
below....
http://www.gromacs.org/Documentation/How-tos/Membrane_Simulations
Best Wishes,
Sarath
> Anybody could help ?
> thank you very much !
>
>
> with regards :
> shikha agarwal
> IIIT-A
>
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