[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
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