Re: Regd: Error

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Mon Jun 01 2009 - 09:00:36 CDT

On Sun, 2009-05-31 at 23:52 -0400, KIRTANA S wrote:
> While running my simulation I am getting the following error .I would
> like to have suggestions on what does it imply .What should I use for

it implies that there are no parameters for atoms of type AU.

> atom type for gold .

you'd have to "find" them and add them to your parameter file.

axel.

>
>
> ------------- Processor 0 Exiting: Called CmiAbort ------------
> Reason: FATAL ERROR: DIDN'T FIND vdW PARAMETER FOR ATOM TYPE AU
> Charm++ fatal error:
> FATAL ERROR: DIDN'T FIND vdW PARAMETER FOR ATOM TYPE AU
>
> Abort (core dumped)
>
> Thanks

-- 
=======================================================================
Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
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