AMBER Archive (2005)

Subject: Re: AMBER: mm_pbsa energy decomposition error

From: David A. Case (case_at_scripps.edu)
Date: Wed Aug 24 2005 - 08:26:49 CDT

On Wed, Aug 24, 2005, amit_at_mbu.iisc.ernet.in wrote:
>
>
> I am using amber8 to calcuate binding energy of
> protein/ligand system. Satibility and binding calculation
> is working fine. But I got "bad atom type: ZN" when I run
> energy decomposition. I used leap to generate lib & frcmod
> files for Zn which is part of complex.
> I dont know what went wrong.

Use the Google search bar on the Amber web page, and search for "bad atom
type" in the mailing archives. This will give you lots of information.

The simplest workaround will be to set gbsa=0.

...good luck...dac
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