you may try prodrg beta to get Gromos96 ff for your lipid.
serdar
--- Rebeca García Fandiño <[EMAIL PROTECTED]> schrieb am Fr, 11.7.2008:
Von: Rebeca García Fandiño <[EMAIL PROTECTED]>
Betreff: [gmx-users] topology for a membrane + protein
An: [email protected]
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
[EMAIL PROTECTED]
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