Hello
Fairly certain I already know the answer to this one, but do the atom types and the order of atoms present in lib files created by tleap have to match those present in pdb files? I've noticed that the atom order of a ligand has changed after I saved a pdb of one of its docked conformations from AutoDock.
Sam
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Received on Sun Dec 19 2021 - 15:30:02 PST
