Add LigpargenRunner

[Brunoo-LBC]

Summary

Adding a new class LigpargenRunner for obtaining OPLSAA force field parameter and generating LAMMPS data file:

• Generating LAMMPS data files from molecule structure using LigParGen 2.1 and BOSS 5.0.
• Writing the structure in the LigParGen generated data file as .xyz.

Additional dependencies introduced (if any)

• LigParGen 2.1 from https://github.com/Isra3l/ligpargen/tree/main
• BOSS 5.0 under the permission Prof. Jorgensen (william.jorgensen@yale.edu)

TODO (if any)

Data file format problem. Data files with empty sections such as 'Dihedral Coeff' can not read successfully.

Checklist

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