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Each MD simulation consists of 173 ion pairs in the NPT ensemble using a NosÃ-Hoover thermostat and the Rahman-Parrinello barostat with coupling times Ï.,T=0.5ps and Ï.,p=2.0ps. The electrostatic interactions are treated by Ewald summation with a cutoff of 0.9 nm and a mesh spacing of approximately 0.12 nm with 4th order interpolation. Lennard-Jones cutoff corrections for energy and pressure were considered. A 2 fs time step was used. Constraints were solved by the SHAKE procedure. Our IL topology files and configuration files are available from the Gromacs web site
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