WARNING - Failed to generate forcefield for ligand:

dptech-corp / Uni-GBSA

An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculation.

Apache License 2.0

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WARNING - Failed to generate forcefield for ligand: #49

Open Tangbbmc opened 6 months ago

Tangbbmc commented 6 months ago

Could you help me to check my ligand file named 1877.mol2? When running unigbsa-pipeline command, there is the following WARNING ：Failed to generate forcefield for ligand: 1877. Thank you! 1877.zip

Aunity commented 6 months ago