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161 to 170 of 20,959 Results
Unknown - 97.9 KB - MD5: f5e471c3a8ca643fc3ef0e14ed229177
Data
Unknown - 188.8 KB - MD5: 1fee3acb54b4df5bd3cf968a8f4c759c
Data
Unknown - 4.3 GB - MD5: df3a68fd5d191897b1aa3cdbc932b938
Data
Unknown - 4.7 KB - MD5: 8fa7f297bcdc23d74eab8be30ead95f1
Data
Gzip Archive - 1.3 MB - MD5: 1c584dee38662cd3e66bb7677dbe87ce
Modified version of ASTE 3.3.0.
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
Markdown Text - 1008 B - MD5: 9bc34f475d7aeffb0e803de6b1002962
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.
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