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application/vnd.shana.informed.formtemplate - 11.6 KB - MD5: 8a01ce34386d723ab84fd773c9d3f573
Topology file of a reactant molecule in .itp format.
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
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