Lysozyme-in-water 1us full-atom GROMACS simulation for MDAnalysis parallelization benchmark

I'm using trajectory and topology for an 1us run generated according to lysozyme in water tutorial and used later in this publication (charged HIS trajectory). A full-atom xtc trajectory containing 25690 atoms in total (see topology for more detail). Associated benchmark and its description can be found here.

Keywords

lysozyme, gromacs, molecular dynamics, mdanalysis

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