[gmx-users] bilayer problems and ffG45a

[David]

On Thu, 2005-06-09 at 23:06 +0300, Itamar Kass wrote:
> 
> 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).
And by the way there's also GROMOS2004 (or something like that)
GROMOS 53a5, see http://www.gromacs.org/topologies/force_fields.php


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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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