[gmx-users] ffgmx dppc.itp

Jee E Rim jrim at stanford.edu
Tue Aug 10 00:25:20 CEST 2004


I have been running an MD simulation of dppc bilayers using ffgmx and
dppc.itp, and found that the area/lipid (~66-68 nm^2) is too large, while
the bilayer thickness (~64 nm) is too small compared to experiments/other
simulations. Has anyone else had this problem? I'm using PME, Nose-Hoover
T-coupling and Parrinello-Rahman P-coupling.

Thanks in advance for your help.

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