[AMBER] Bad atom type error in MMPBSA

From: hari krishna <haricoolguy111.gmail.com>
Date: Sat, 24 Dec 2011 17:33:48 +0530

Dear all:

I am trying to calculate the binding energy between dna and ligand, with
that I want to add the K+ ions for the binding energy calculation. I have
included those ions in the receptor.prmtop with the same sequential
information in complex.prmtop and all top and crd files.

but while running the gbsa calculation it shows the error bad atom type K
and MPI is aborted

any suggestions please

regards
S.Harikrishna
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Received on Sat Dec 24 2011 - 04:30:03 PST
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