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

shavit shavit at seas.upenn.edu
Thu Feb 21 15:47:32 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,

View this message in context: http://gromacs.5086.n6.nabble.com/Extracting-the-timestep-value-from-topology-and-or-trajectory-files-tp5005760.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.

More information about the gromacs.org_gmx-users mailing list