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).