The reference temperature depends on what you want to model, and how
well the force field reproduces the phase transition temperature of the
lipids. If, for example, the force field requires higher temperature for
a lipid type to remain liquid crystalline than it should, you have to
decide if the higher temperature is reasonable or if you should be using
a different force field that is more accurate.
-Justin
What I want to model is the diffusion of several lipids, in interaction
of a membrane protein. Buslaev and Gushchin
(https://www.nature.com/articles/s41598-017-11761-5) simulated lipids at
different temperatures using different FFs, showing little differences.
In my case I have a bilayer with DPPE, DOPE, POPE, DPPG, DOPG, POPG and
CDL, plus a membrane protein, so I think regular physiological 310K is
the best, right?
Best
Yasser
--
Yasser Almeida Hernández
PhD student
Institute of Biochemistry and Molecular Biology
Department of Chemistry
University of Hamburg
Martin-Luther-King-Platz 6
20146 Hamburg
Germany
+49 40 42838 2845
yasser.almeida.hernan...@chemie.uni-hamburg.de
office: Grindelallee 117, room 250c
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