Just triaging this, but it looks like our trajectories don't write the final frame (something which I expect coming from GROMACS and AMBER-land). It might be that we need to manually force writing the final frame to the XTC.
Just triaging this, but it looks like our trajectories don't write the final frame (something which I expect coming from GROMACS and AMBER-land).
It might be that we need to manually force writing the final frame to the XTC.