[gmx-users] bilayer problems and ffG45a

Itamar Kass ikass at cc.huji.ac.il
Thu Jun 9 22:06:21 CEST 2005

On Jun 9, 2005, at 9:57 PM, John Simms wrote:

> Hi All,
> I am having a bit of trouble with the a membrane simulation. I am  
> using the ffG45a3 forcefield from the contributions page but after  
> 5ns the lipid surface area approaches 57 A^2, which is below what  
> it should be. Has anyone used this forcefield? Below is my .mdp  
> file and the top file for the a DPPC lipid, the origonal bilayer  
> was from peter tielemans site (dppc64.pdb).
> If anyone has any suggestions...
> Many Thanks
> John

   Hi John, I think Tieleman used GROMOS87 (gmx ff).

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