Dear Gromacs Users

When I rerun .trr trajectory files for re-calculating energies and forces, the following error was received. Any suggestion to solve it please?

However, there is no problem with the .xtc files, but they only store the positions and not the velocities, for calculating kinetic energy.

Command line: gmx mdrun -v -s md.tpr -rerun md.trr

...

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Program: gmx mdrun, version 2018

Source file: src/programs/mdrun/md.cpp (line 884)

Fatal error: Rerun trajectory frame step 100000000 time 200000.000000 does not contain a box, while pbc is used.

Thanks