[gmx-users] OPLS and Berger lipids a la Tieleman 2006

chris.neale at utoronto.ca chris.neale at utoronto.ca
Thu Aug 31 02:11:41 CEST 2006

Does anybody have the parameters that were used in Tieleman et. al. J.
Phys.:Condens. Matter 18 (2006) S1221-34, or know where they can be obtained? I
am specifically refering to the combination of all-atom OPLS protein with
united-atom Berger lipids.

I have previously worked with a simpler version of that same combination:

However, this 2006 paper appears to be entirely different. If I understand
correctly, the main difference is that they "decided to replace the 1-4
interactions in the lipids (both the electrostatic and the Lennard-Jones
components) with dihedral potentials.)" because of the inability to scale
coulombics seperately in Gromacs.

I am interested in obtaining the parameters (as opposed to re-developing them
myself according to the guidelines in that paper) because it will be easier, but
more importantly it will ensure accuracy.

Many thanks,
Chris Neale.

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