Pull Schrodinger-based solvation analysis into clean branch#27

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levineds wants to merge 5 commits intomainfrom schrodinger_solvation

+579

Commits on Aug 13, 2024

Pull Schrodinger-based solvation analysis into clean branch
levineds
committed

Commits on Aug 23, 2024

refactor and add some comments
Sanjeev Raja
committed
replace shell check
levineds
committed

Commits on Oct 6, 2024

remove now unused functionality, deprcate metadata requirements
levineds
committed

Commits on Oct 25, 2024

check for frames.maegz and launch with slurm
levineds
committed