[gmx-users] A bug in gromacs tool 4.5

Mark Abraham mark.abraham at anu.edu.au
Tue Aug 10 03:18:40 CEST 2010

----- Original Message -----
From: Xiaohu Hu <x.hu1982 at googlemail.com>
Date: Tuesday, August 10, 2010 10:26
Subject: [gmx-users] A bug in gromacs tool 4.5
To: gmx-users at gromacs.org

> Hi all,
> I think the gromacs tools 4.5 may have a bug. So far I 
> experienced that several tools trjconv, g_rms, grmsf, g_covar, 
> g_anaeig crash with a segmentation fault if the trajectory read 
> in does not have the same atom number as the atom number in the 
> .tpr file. It seems to be a systematic problem. I can do the 
> same analysis without any problems with the older version of 
> gromacs tools, i. e. version 4.0.7.
> Hope it could be fixed soon. Thanks!

Please submit a http://www.gromacs.org/Support/Bugzilla and attach files that demonstrate the problem. If a single trajectory frame will suffice, do that rather than upload a whole trajectory!


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