[gmx-users] temperature for DPPC bilayer simulation

[Pedro Alexandre Lapido Loureiro]

> > > 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,
> so
> > > 323K is a little far above the biological temparture. So, why choose
> 323K
> > > for DPPC bilayer simulations?
> > >
> > For two reasons:
> > -to simulate the biological relevant liquid crystalline phase (gel to
> liquid
> > 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?
> 

"Structure of lipid bilayers" - Nagle,JF & Tristram-Nagle,S
BBA 1469 (2000) 159-195

Regards.

Pedro.

--
Pedro Alexandre Lapido Loureiro
Laboratório de Física Biológica
Instituto de Biofísica
UFRJ
Brasil