POPC with 0, 10, 20, and 30 mol-% of cholesterol at 310 K. Slipids force field.

Simulations of a POPC bilayer with varying amounts
of cholesterol. This data is employed for the NMRlipids
project, see http://nmrlipids.blogspot.fi for more information.

A POPC bilayer consisting of 200 lipids (100 per leaflet) 
is simulated in the presence of 0% (0 molecules), 10 %
(22 molecules), 20 % (50 molecules), or 30 % (86 molecules)
of cholesterol. The Slipids model [1–3] is employed for lipids,
and the tip3p model for water.

The Slipids force field parameters were downloaded from
http://mmkluster.fos.su.se/slipids/

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The files are in GROMACS format. Trajectory (.xtc) is 
100 ns long with data saved every 100 ps. Additionally,
the initial structure (.gro), topology (.top), index file (.ndx),
binary run input file for GROMACS v. 4.6–> (.tpr) and the
energy output file (.edr) are provided together with the run
parameter file (.mdp) employed to run all the simulations.

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[1] Derivation and Systematic Validation of a Refined 
All-Atom Force Field for Phosphatidylcholine Lipids
Joakim P. M. Jämbeck and Alexander P. Lyubartsev
The Journal of Physical Chemistry B 2012 116 (10), 3164-3179
DOI: 10.1021/jp212503e

[2] An Extension and Further Validation of an All-Atomistic 
Force Field for Biological Membranes
Joakim P. M. Jämbeck and Alexander P. Lyubartsev
Journal of Chemical Theory and Computation 2012 8 (8), 2938-2948
DOI: 10.1021/ct300342n

[3] Another Piece of the Membrane Puzzle: Extending Slipids Further
Joakim P. M. Jämbeck and Alexander P. Lyubartsev
Journal of Chemical Theory and Computation 2013 9 (1), 774-784
DOI: 10.1021/ct300777p