Simple way to get last frame from trajectory
At https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2019-February/124407.html, a user asked for a simple way to get the last frame from a trajectory.
Currently gmx trjconv -f -dump 9999999 doesn't work because an arbitrary time is observed to be inconsistent with the time series.
We could implement gmx dump -f traj.tng -lastframe conf.gro
#1 Updated by Erik Lindahl about 1 year ago
- Tracker changed from Feature to Bug
- Affected version set to 2019
Since the documentation for the dump option is "Dump frame nearest specified time (ps)", this sounds like it's a bug that it does not do that :-)
Instead of adding another option, IMHO we should just make the present one behave according to the specifications.
#2 Updated by Berk Hess about 1 year ago
The specifications are imprecise. I think I implemented this and I think it gives the nearest frame within a the time step between frames.
We can extend it to work exactly to the current specification, but it seems to me that this is not a very intuitive way to get the last frame.