[gmx-users] A bug in gromacs tool 4.5

Xiaohu Hu x.hu1982 at googlemail.com
Tue Aug 10 02:25:39 CEST 2010


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!

Xiaohu



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