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ChemBioHTP / EnzyHTP

EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling
https://enzyhtp-doc.readthedocs.io
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A potential bug in run_tleap() #144

Open shaoqx opened 6 months ago

shaoqx commented 6 months ago

In https://github.com/ChemBioHTP/EnzyHTP/blob/b74c2eb7340cb375761e76e6d65ac12d3962c53d/enzy_htp/_interface/amber_interface.py#L945, seems run_command will never raise an error? We need a unit test and fix this