Re: [AMBER] Error: Failed to generate parameters

From: David A Case <david.case.rutgers.edu>
Date: Fri, 2 Oct 2020 11:26:38 -0400

On Thu, Oct 01, 2020, Jatin Kashyap wrote:
>
>Actually I am feeding the result of Vina into AMBER and due to some
>reason the Vina is changing the name of the ligand to “UNL”.

Check the pdb file that you are loading -- sounds like it came from
Vina. All of the atom names in the "UNL" ligand must match those in the
mol2 file you created from antechamber. You may need to manually edit
the PDB file to make sure that this is true.

....dac


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Received on Fri Oct 02 2020 - 08:30:04 PDT
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