[gmx-developers] trjcat -nokeeplast with append

Roland Schulz roland at utk.edu
Wed Sep 16 07:56:11 CEST 2009


when using trjcat in append mode without -keeplast it does not really do
what the documentation says.

While the documentation says "Obviously the file to
append to has to be the one with lowest starting time since one can only
append at the end of a file." It does not say that it implies keeplast for
the first appended trajectory.

But I think this is not only not documented correctly but the behavior
itself is misleading. Because usually one wants to have -nokeeplast (good

I'm not sure how to best change it:
- just update the documentation
- add a warning if append is used without -keeplast
- add a warning if append is used without -keeplast and there is actually an
- change append so that it seeks to the correct time and then appends so
that it is correct for -nokeeplast
- require either "-keeplast" or new option "-overwrite" if appending
(overwrite would do the same as the last option)

I think seeking and overwriting would be the most likely expected behavior
but it might be good not to do it by default as it could lead to data loss.

What do you think?


ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
865-241-1537, ORNL PO BOX 2008 MS6309
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