In this dataverse you can find all research data related to publications of the group generated within the context of CRC 1333.
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application/x-yaml - 230 B - MD5: c9bf08f1bc8132407b81df510fbbda6b
Conda environment Yaml File to set up a conda environment to run example MD_Simulations/Notebooks and get the versions of the code which was used to generate pore and all used packages. Terminal Command to set up environment with conda: conda env create -f environment.yml
application/vnd.shana.informed.formtemplate - 234.9 KB - MD5: b7a11b1f8ffa07f8eba60498c2e7365a
Topology file of all bonded atoms in .itp format.
application/vnd.shana.informed.formtemplate - 70.3 KB - MD5: 953367ff89ae647d2a42eba672ad2caa
Topology file of all non-bonded atoms in .itp format.
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