[gmx-users] Gel Phase in DMPC using Berger force field ??

[Jochen Hub]

Hi,

does anyone know whether the Berger force field for DMPC lipids can 
reproduce a gel phase? I didn't really find anything in the literature. 
I sumulated a patch of 128 lipids (with 7 water molecules per lipid) at 
278 K for 50ns. The lipid chains seem a little more ordered than at, 
say, 300K, but they are not really stretched as one would expect in the 
gel phase.

Does anyone have experience with that issue? Should I try an even lower 
temperature or less/more water or a larger box? Or is the Berger force 
field not parametrized to reproduce the gel phase at all?

Thanks at lot,
Jochen


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Jochen Hub
Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11
D-37077 Goettingen, Germany
Email: jhub[at]gwdg.de
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