[AMBER] Atom type does not shown up in PARMCHK.DAT

From: Rohanizeidanlou, Sahar <srohani3.calstatela.edu>
Date: Tue, 26 Oct 2021 23:38:13 +0000

Hi Amber Community,

I am running parmchk2 on a ligand structure after generating the .prep file using ANTECHAMBER and getting the below error:

$AMBERHOME/bin/parmchk2 -i lig.prep -f prepi -o lig.frcmod

Atom type of DU does not shown up in PARMCHK.DAT

I know that the DU atom type does not exist in the PARMCHK.DAT file. Can anyone guide me how can I add this atom type in the DAT file?

I have attached the ligand structure and prep file for your reference.

Thanks for your support in advance.

Best regards,
Sahar Cain

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Received on Tue Oct 26 2021 - 17:00:02 PDT
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