Addition of multiple ligand support#198
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talagayev merged 23 commits intowolberlab:mainfrom Apr 5, 2026
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adjust for multi lig
adjust for multiple ligand support
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Addition of option for multiple ligand simulation in
PDB Pathallowing to simulate multiple ligands simultaniously or simulate a ligand with a cofactorChanges made:
OpenMMDL Setupand support inOpenMMDL SimulationPR Checklist
CHANGELOGfile updated?AUTHORS?