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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- application/octet-stream attachment: lig_2.pqr
- application/octet-stream attachment: lig.prep
Received on Tue Oct 26 2021 - 17:00:02 PDT