[gmx-users] temperature for DPPC bilayer simulation

[Pedro Alexandre Lapido Loureiro]

> Hi,
> 
> 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).

Cheers,

Pedro.

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