Loading Data

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Please see the Quick Start section for how to load the files and the general format of the loaded files.

The MosDeF-GOMC was built on the MosDeF ecosystem. Therefore, please see the MoSDeF software documentation for details on the respective packages:

  • mBuild – A hierarchical, component based molecule builder

  • foyer – A package for atom-typing as well as applying and disseminating forcefields

  • GMSO – Flexible storage of chemical topology for molecular simulation