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Corrigendum

Posted by lschfer on 07 Oct 2014 at 10:34 GMT

Due to a mistake in one of our input files, the data reported on p. 10 (right column) of the manuscript concerning the PME calculations are not correct. This error only occurred in the simulations of the water box and nowhere else, e.g., in the membrane simulations. With PME long-range electrostatics, the density of the polarisable Martini water model is 1-2 g/l (0.1 - 0.2 %) higher than with shifted cut-off (instead of 0.6 - 1.1 % lower, as reported in the manuscript). In addition, the relative static dielectric permittivity with PME drops from 87 at 300 K to 56 at 350 K. The latter values were obtained from applying an external E-field to a cubic periodic simulation box containing 600 polarisable Martini water molecules and monitoring the polarization. The system was simulated for 200 ns at 10 equidistant field strengths up to 0.01 V/nm, and a linear fit was carried out according to P/e0 = (er+1)E.

No competing interests declared.