[gmx-users] eneconv error

Berk Hess gmx3 at hotmail.com
Thu Jul 29 13:19:07 CEST 2004

>From: Rainer Boeckmann <rainer at bioc.unizh.ch>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: Discussion list for GROMACS users 
><gmx-users at gromacs.org>,andre at qt.dq.ufscar.br
>Subject: [gmx-users] eneconv error
>Date: Thu, 29 Jul 2004 12:51:31 +0200
>has there been any solution to the problem Andre reported some days ago:
>eneconv -f out*.edr
>Reading frame 0 time 10.000 Segmentation Error
>I faced the same error message with version 3.2.1. (at least for parts of a 
>simulation). g_energy and gmxcheck of the respective edr-files work fine.

I looked in the cvs and it turns out that David van der Spoel
has fixed a problem in eneconv when the first file did not
start at time 0 in May.

A diff of the eneconv.c source gives:
<   if(begin>0)
>   /* if(begin>0) */
<   else
>     /* else
>     */
<         if (startee != NULL)
>         if /*(startee != NULL)*/ (begin > 0)

I guess you can fix the code from this diff.
If not, I can mail you the fixed eneconv.c.


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