Lysozyme-in-water 1us full-atom GROMACS simulation for MDAnalysis parallelization benchmark
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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 <code>xtc</code> trajectory containing 25690 atoms in total (see topology for more detail). Associated benchmark and its description can be found here.
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Zenodo创建时间：
2023-09-15
