Dear Gromacs Users,
I am using the -rerun option of mdrun to re-analyze a trajectory. Thus, I
tried to rerun the same trajectory (md.xtc) with exactly the same md.tpr.
But the bonded interactions are not computed or written to the log file or to
the .edr file, resulting to completely different energy values from the initial
log and edr files.
I am using the following command, in order to read the coordinates stored in
the .xtc file and compute the potential energy:
mdrun -rerun md.xtc -s md.tpr
Thanks in advance for your help
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