Analysing Trajectory Information

Extracting Trajectory Information

There are several techniques available for finding information in GROMACS trajectory files.

• use the GROMACS trajectory analysis utilities
• use g_traj to write a .xvg file and read that in an external program as above
• write your own C code using gromacs/share/template/template.c as a template
• use gmxdump and redirect the shell output to a file and read that in an external program like MATLAB, or Mathematica or other spreadsheet software.

See Plotting Data, also.

 Resources

• Analysis of MD trajectories in GROMACS (slides,video) - (David van der Spoel).