[gmx-users] xtc_write() signals segmentation fault

[Murilo Kramar]

Greetings everyone,

My Gromacs version is 5.1.2 under CentOs 6.5.

I'm currently using xtc_write() inside a template.cpp based program, but in
the very first frame it crashes and shows a segmentation fault message.

The opening statement:

 t_fileio* traj = open_xtc("new_traj.xtc", "w+");

returns a number different than zero, indicating that the file was opened
correctly.

After that, inside analyzeFrame I call write_xtc() to copy the actual
information into another file in order to check whether the function works
or not:

write_xtc(traj,
              fr.atoms->nr, fr.step, fr.time,
              const_cast <real (*) [3]> (fr.box), fr.x, 10.0);

The frame number 0 signals a segmentation fault. Is write_xtc recommended
in newer version of Gromacs?


Best Regards,

Murilo. G. K.