On Mon, May 03, 2021, Vaibhav Dixit wrote:
>Error: Atom 9656 was assigned a lower molecule # (1) than previous atom (2).
Look at atom 9695 and its previous atom. Is the former part of molecule 1
and that latter a part of molecule 2? Can you see a simple way to fix this?
Sometimes, reordering ligand or solvent molecules can obviate such a
problem.
Also it's not clear whether you tried the fixes that are mentioned in the
error message. But understanding what is going on is a good first step: the
automated solutions like fixatomorder will fail if there is some mistake in
connectivity.
....dac
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Received on Mon May 03 2021 - 05:30:05 PDT
