[gmx-users] Membrane simulation with OPLS ff.

Christopher Neale chris.neale at mail.utoronto.ca
Fri Sep 27 04:47:22 CEST 2013

Dear Karthi:

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.
Thank you.
Best Regards

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