plumed2 Find a way to sync COLVAR/HILLS with gromacs checkpoint

GROMACS is checkpointing regularly. When restarting, trajectories are properly appended also if the checkpoint has been saved earlier than the last trajectory snapshot. I.e., trajectories are cut at the proper time (and a small portion of the trajectory is repeated). I think it would be great to have something such that if the first column of a file is time (this is true for most plumed output files) the latest part of the file (past the checkpoint time) is deleted upon restart.

Oct 03 '13 15:10 GiovanniBussi

@gtribello bCPT is the variable that is true in GROMACS when it is time to write a checkpoint, I think that this could be sent to PLUMED to make it write its own checkpoint

Oct 31 '13 14:10 carlocamilloni

This is somewhat related to #100 so possibly they should be addressed together

Jun 22 '14 09:06 GiovanniBussi

with 3319395aca70c30762931ad792eecee479ac8712 I added the possibility to tell plumed that this is a checkpointing step, now this is then used only to force the flush of all the actions. The patch for gromacs 5.1 is updated to use this feature

Jun 21 '16 18:06 carlocamilloni