Re: [AMBER] Bad atom type error in MMPBSA

From: Jason Swails <>
Date: Sat, 24 Dec 2011 09:19:01 -0500

This has been brought up a number of times on the mailing list in the past.
 If you search for "bad atom type mmpbsa", you'll see a number of email
threads that address the issue that I think you're having (but you were
pretty vague about the actual error and didn't provide many details for me
to confirm).

For example:

Good luck,

On Sat, Dec 24, 2011 at 7:03 AM, hari krishna <>wrote:

> 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
> _______________________________________________
> AMBER mailing list

Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
AMBER mailing list
Received on Sat Dec 24 2011 - 06:30:03 PST
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