Units

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MoSDeF-GOMC uses the unyt package for all its unit systems, except if they are unitless values.

Note

The MoSDeF-GOMC uses the Molecular Simulation Design Framework (MoSDeF) software. Therefore, for all the compatible unit systems, please see the following 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

Note

The GOMC and NAMD file units can be found in the Data Structures section for the PDB, PSF, and force field files, and the GOMC input and GOMC output (GOMC control file writer). NAMD’s file units are the same as GOMC’s when using the non-bonded Lennard-Jones (LJ) interactions.