----- Original Message ----- From: Xiaohu Hu <[email protected]> Date: Tuesday, August 10, 2010 10:26 Subject: [gmx-users] A bug in gromacs tool 4.5 To: [email protected]
> 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! Mark
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