Hi,
Firstly, I would recommend you to upgrade your AMBERTools to version 17.
I guess this problem will be solved automatically.
Best Regards
Elvis Martis
Mumbai, INDIA.
________________________________________
From: Sharon D. Morris <sharondm.aims.amrita.edu>
Sent: 14 April 2018 09:55
To: AMBER Mailing List
Subject: [AMBER] "bad atom type: DU" error
Hi all,
My protein in protein-ligand complex contains zinc. I am running MMPBSA calculations with Amber 12 for protein-ligand binding free energy. When I run only MM-PB/GB-SA, it runs fine with DZ atom type. But only when I want to decompose energy on per residue basis using &decomp namelist, it crashes with message bad atom type: DZ. So we changed the atom type to DU. But still the same error occurs ( bad atom type: DU). Kindly guide us as soon as possible.
Regards,
Sharon D'Morris,
JRF
Amrita Center for Nanosciences and Molecular Medicine(ACNSMM)
Amrita Institute of Medical sciences,
AIMS-Ponekkara (P.O)
Kochi-682041
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Received on Fri Apr 13 2018 - 22:00:02 PDT
