POPC @ 310K, varying water-to-lipid ratio. Model by Maciejewski and Rog

The used ratios are 50, 25, 20, 15, 10, and 5. The force field is an extension to the OPLS-based force field by the same authors [1].

The same POPC force field has also been employed in [2]. –––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––– Files: XX.tpr – XX waters per lipid; run input file for Gromacs versions 4.5.5 and above. XXWperL_YYns.xtc – The last YY ns of a 100 or 90 ns long simulation (50 ns discarded from the beginning). XX waters per lipid. –––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––– This data is used in the project "Matching lipid force fields with NMR data", see: nmrlipids.blogspot.fi and referred to in the blog as 'MacRog' [1] Maciejewski, A., Pasenkiewicz-Gierula, M., Cramariuc, O., Vattulainen, I., and Rog, T. Refined OPLS All-Atom Force Field for Saturated Phosphatidylcholine Bilayers at Full Hydration.