[gmx-users] temperature for DPPC bilayer simulation

Yuhua Song yhsong at ccb.wustl.edu
Fri Nov 21 23:48:00 CET 2003

Thanks Pedro for kind response.

> > I had read two correlated paper by Peter Tielman etc. about DPPC bilayer
> > simulation with Gromacs. In their simulation for DPPC, all adopt system
> > temperature of 323K. I am wondering why choose this temperature for DPPC
> > bilayer simulation? Beause the biological temperature is 300K or 298K,
> > 323K is a little far above the biological temparture. So, why choose
> > for DPPC bilayer simulations?
> >
> For two reasons:
> -to simulate the biological relevant liquid crystalline phase (gel to
> transition occurs at 42 C for DPPC).
> -to compare with available experimental data (at 50 C).

Are there some references that you can recommend me to read for the
information that you mention above?



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