Fix mdrun appending invalidating energy files
authorBerk Hess <hess@kth.se>
Wed, 18 Dec 2019 18:23:43 +0000 (19:23 +0100)
committerMagnus Lundborg <magnus.lundborg@scilifelab.se>
Thu, 19 Dec 2019 07:45:26 +0000 (08:45 +0100)
commit6c0b8d31d5680d66c5c94c1832860ac0bf199159
tree29bee84fb55aa6bca703014d2d0aa838fbcd1b67
parent1953fd6678bdf9f77977a3a88af738bc26038c02
Fix mdrun appending invalidating energy files

When appending at mdrun restarts, energy files would become
unreadable at the appending point.

Fixes #3250

Change-Id: I7683e1a954fb8865acb5e77aae028ae717ae0ab3
src/gromacs/mdlib/energyoutput.cpp
src/gromacs/mdlib/energyoutput.h
src/gromacs/mdlib/tests/energyoutput.cpp
src/gromacs/mdrun/md.cpp
src/gromacs/mdrun/mimic.cpp
src/gromacs/mdrun/minimize.cpp
src/gromacs/mdrun/rerun.cpp
src/gromacs/modularsimulator/energyelement.cpp