youngh
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youngh
Do you mean this message? But I think this could come from obabel. GNINA STDERR ============================== *** Open Babel Warning in PerceiveBondOrders Failed to kekulize aromatic bonds in OBMol::PerceiveBondOrders terminate...
OK, yes I also noticed that, I followed the instruction for installation of gnina. My memory is 22G. thanks.
Seems the openmm force field is still a problem, any solution for this?