[AMBER] Atom types and atom order of lib files and pdb files

From: Sam Walsworth (Researcher) <"Sam>
Date: Sun, 19 Dec 2021 23:28:39 +0000


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.

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Received on Sun Dec 19 2021 - 15:30:02 PST
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