AW: [gmx-users] topology for a membrane + protein

[serdar durdagi]

you may try prodrg beta to get Gromos96 ff for your lipid.
 
serdar


--- Rebeca García Fandiño <regafan at hotmail.com> schrieb am Fr, 11.7.2008:

Von: Rebeca García Fandiño <regafan at hotmail.com>
Betreff: [gmx-users] topology for a membrane + protein
An: gmx-users at gromacs.org
Datum: Freitag, 11. Juli 2008, 11:14




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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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