AMBER Archive (2004)

Subject: Re: AMBER: %GIBBS-F-MISMATCH, The parm and coord files disagree on the number of atoms

From: David A. Case (case_at_scripps.edu)
Date: Wed Apr 28 2004 - 12:56:10 CDT

On Wed, Apr 28, 2004, Jiten wrote:
>
> When I run the Gibbs, I got the following error
>
> %GIBBS-F-MISMATCH, The parm and coord files disagree on the number of atoms
>
> In amber reflector, somebody suggested to check the number of atoms in top and crd files.
>
> Here it is
>
> *.crd
>
> 22214

You need to manually remove the space in column 1 of the above line: gibbs
expects to read the number of atoms in an I5 format, not I6.

...regards...dac 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
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