ADL: Help with adding atomic parameter

Bhattacharyya, Rik rxb28 at scasd.org
Sun Dec 27 16:06:03 PST 2020


Hello,
I am looking for some help adding atomic parameters. I am pretty new to
Vina so I apologize if I'm not familiar with every detail.

When I am running Vina, I am getting this error: Parse error on line 6234
in file "transferrinreceptor.pdbqt": ATOM syntax incorrect: "Sm" is not a
valid AutoDock type.

>From what I have gathered, this ATOM syntax error means that vina does not
have the atomic parameters for samarium. I have seen some of the solutions
to adding atomic parameters in AD4 but cannot figure out how I would do
that in Vina.

If you could please advise with adding those parameters on Vina.

Thanks,
Rik Bhattacharyya


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