Dear Xin:
You can set RADIOPT=0 to avoid this problem.
Best Regards!
Liu
On Wed, 22 Jun 2005 22:34:13 +0800, Xin Hu <hux.mail.rockefeller.edu>
wrote:
> Dear Amber user,
> I had a problem with the PBSA calculations. The error showed:
> PB bomb in pb_aaradi(): ZERO sigma found for non-hydrogen atom
>
> I attached the prmtop file. Is there something worng with the parameters
> (generated from leap)?
>
> Thank you,
>
>
>
> Xin
>
>
>
>
--
JunJun Liu
College of Chemistry
Central China Normal University
WuHan 430079
P.R. China
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Received on Wed Jun 22 2005 - 16:53:00 PDT
