Time step representation in xvg files

User discussions
1

GROMACS version: 2020.3
GROMACS modification: No

BS"D

In a simulation with more than 1M steps, the time step column in the xvg file counting hbonds of gmx hbond starts using the 1e+06 format, after step 999,999. Not very desirable when I want to import that into matlab, or the like. Is there a way to stop that behaviour?

Thanks

Harry

2

Note that that is the time, not the time step.
You can change the %10g format string on line 3505 of src/gromacs/gmxana/gmx_hbond.cpp to something else, for instance %10f

3

BS"D

Ok, thanks.