XVG decimate: also raise MissingDataError if columns do not fit the array

This normally raises an IndexError but it is typically a sign that the transformation was inadequate or that too few data
was input.

THIS HACK MIGHT BE CHANGED/REVERTED IN THE FUTURE.
can use a gromacs.run.MDrunner *instance* for gromacs.setup.energy_minimize()
gromacs.qsub: improved replacement of qscript parameters

- placeholders do not have to have specific values anymore; the regexes were improved
  to handle arbitrary cases
- added NPME as another shell variable that can be replaced
minor fix to logging in scripts/gw-join_parts.py
Merge branch 'develop' of github.com:orbeckst/GromacsWrapper into develop