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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Apr 13 2018 - 21:30:03 PDT
