[gmx-users] DPPC lipid force field difference between upload one, benchmark one, and lipid.itp

Yuhua Song yhsong at ccb.wustl.edu
Fri Nov 7 18:01:02 CET 2003

Hi, Eric:

In the Gromacs website, forcefield section, you upload a ffG43a2x.tgz
force field for the lipid. Also, in the Gromacs benchmark section, there
are one case for 1024 DPPC bilayer, in its topology file, it include the
force field. Also, in peter tieleman's webist, it has the lipid.itp that
is the force field of lipid from OPLS/Berger.

After I compare the three forcefield, it seems the force field in the
upload section of Gromacs website has some common place with Tieleman's
lipid.itp. I am wondering the lipid parameter of forcefield from the
upload section of Gromacs website are also from Berger et;; al, Biophys.
J. 72, pp. 2002-2013.as lipid.itp from Tielman's?

Also what is the difference of the force field used for the benchmark
case of DPPC with the other two force field?

which one that do you recommend me to use for my DPPC analysis?



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