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Gzip Archive - 2.8 MB - MD5: 15e25ddb4ab10270939842f6b77f6009
Test cases and mesh files.
Gzip Archive - 1.6 MB - MD5: 57f412b5a41fd6baf84e3e22721c9180
Modified version of preCICE 3.1.2
Gzip Archive - 3.5 GB - MD5: 29446eb0163201b09183cd448e4fc350
Contains the pdb (molecular structure), xtc (trajectory), mdp (MD parameters), itp (topology), and top (topology) files. GROMACS 2021 or 2023 was used for the simulations (see paper for details). Additionally, ART-SM and Backward mapping files from coarse-grained to atomistic resolution are included.
Gzip Archive - 178.8 KB - MD5: 35b10d2aa63dd1e4aef4aeaa202c34df
Snakefiles and python/bash scripts to reproduce the results in the paper. The actual results are not included.
Apr 11, 2025 - DuMux 3.10.0
Gzip Archive - 66.9 MB - MD5: c30db437388fb6c7629bc6989c5d711d
Apr 11, 2025 - DuMux 3.10.0
Gzip Archive - 4.5 MB - MD5: af950805db76013362abbe4d77b66a15
ZIP Archive - 215.8 KB - MD5: 366e71dc48ab48e2deead12bc7bd4c4b
Apr 7, 2025 - DuMux 3.10.0
Gzip Archive - 38.9 MB - MD5: 101e9e32bc08e58e79ef09a9d9c21452
ZIP Archive - 55.2 GB - MD5: 65ab1b76a57cde2fd56f4afddc397818
Data
Contains all simulations with ID between 113525 and 116825.
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