[gmx-developers] Extracting the timestep value from topology and/or trajectory files

Amit Shavit shavit at seas.upenn.edu
Thu Feb 21 04:37:46 CET 2013


For several months now, I've been writing my own analysis tools using the
GROMACS template.c file.  There is one thing I haven't been able to figure
out, and that is how to get the timestep size.

I'm confident this parameter is located in either the traj.trr file or the
topol.tpr that I feed into all of my analysis codes, I just can't figure
out how to access it.

Any help would be appreciated!

Thanks a lot,
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