[gmx-users] Best forcefield for DMPC - Protein system

Deniz KARASU karasudeniz at gmail.com
Sun Aug 8 17:45:08 CEST 2010


I am planing to use 53a6 ff for my membrane protein system. And I can
use Kukol 2009 lipid or Roger 2010 lipid and topology  so I wonder is there any
problem about 53a6 force field and what is the most suitable force
field for membrane protein systems?

I read from http://www.mail-archive.com/gmx-users@gromacs.org/msg27700.html
mail that there are some problems about 53a6 forcefield.

1) Kukol, A., 2009. Lipid models for united-atom molecular dynamics
simulations of proteins
2) D Poger, WF Van Gunsteren,  2010.  A new force field for simulating
phosphatidylcholine bilayers.


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