[gmx-users] topology for a membrane + protein

Rebeca García Fandiño regafan at hotmail.com
Fri Jul 11 11:14:06 CEST 2008





Hello,
I am a new user of Gromacs, and I am trying to simulate a system of a membrane composed by POPC, cholesterol and sphingomyelin and a protein. I am using lipid.itp, but it includes ffgmx.itp, and I have read it is deprecated, so I am having a lot of problems to introduce the protein topology with ffG43a1 or opls, without using ffgmx.itp also for the protein. 
I would like to know which is the recommendation, because I am a bit confused about this, an in the case of using a different force field from the deprecated ffgmx for the protein, does anybody know where I could get the paremeters for the Berger lipids constructed with a more modern forcefield than ffgmx?
I hope somebody could help me, I will really appreciate your advices.
Best wishes, 
 
Rebeca Garcia
Parc Cientific de Barcelona 
Universidad de Barcelona
regafan at hotmail.com

Sigue de cerca las últimas tendencias y lo que más rompe MSN Vídeo 

Todo ruedas: información práctica y todo el glamour del mundo del motor. MSN Estilo y Tendencias 
_________________________________________________________________
La vida de los famosos al desnudo en MSN Entretenimiento
http://entretenimiento.es.msn.com/
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20080711/f0cf65a9/attachment.html>


More information about the gromacs.org_gmx-users mailing list