On Thu, Jan 12, 2023, MADHUSMITA DEVI via AMBER wrote:
>
>I optimised a ligand using gaussian and after normal termination tried to
>parametrize the same using antechamber, on which I received the following
>warning at the initial step.
>
>Warning: ATOM N3 has unfilled valence, assuming the linked atom name (in other residue) is "M"
> change "M" to "-M" if ATOM N3 is linked to the immediate previous residue
> change "M" to "+M" if ATOM N3 is linked to the immediate after residue
>
>However, proceeding further the error appeared which says,
Note that this is warning, not an error. Follow the advice above, if you
can. Beyond that, we would need to know the flags you gave to antechamber,
and the input files that you gave it.
....regards...dac
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Received on Mon Jan 16 2023 - 11:00:04 PST
