[gmx-users] Membrane simulation with OPLS ff.
chris.neale at mail.utoronto.ca
Fri Sep 27 04:47:22 CEST 2013
As far as I am aware, there is no OPLSAA lipid force field. I have used Berger lipids with OPLSAA protein
( http://www.pomeslab.com/files/lipidCombinationRules.pdf ) but that is mixing a UA lipid with an AA protein
so be aware of possible problems arising out of that.
Charmm has proteins and lipids, but charmm lipids require charmm tip3p water (or at least tip4p or spc, certainly not
regular tip3p) and are thus slower to simulate in gromacs. I'm more recently using the Slipids (stockholm lipids) and
Amber99SB-ILDN protein forcefield.
-- original message --
Is OPLSAA forcefield data already available for POPC membranes. I am interested in simulation of proteins in POPC membrane.
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