Missing energy terms when using mdrun -rerun

GROMACS version: 2022.3
GROMACS modification: No

I’ve been building different membrane protein systems with CHARMM-GUI to simulate in gromacs and got stuck troubleshooting an instability. From the initial run, these are the different energy terms in the .edr file:

1 Bond 2 U-B 3 Proper-Dih. 4 Improper-Dih.
5 CMAP-Dih. 6 LJ-14 7 Coulomb-14 8 LJ-(SR)
9 Coulomb-(SR) 10 Coul.-recip. 11 Potential 12 Kinetic-En.
13 Total-Energy 14 Conserved-En. 15 Temperature 16 Pressure
17 Constr.-rmsd 18 Box-X 19 Box-Y 20 Box-Z
21 Volume 22 Density 23 pV 24 Enthalpy
25 Vir-XX 26 Vir-XY 27 Vir-XZ 28 Vir-YX
29 Vir-YY 30 Vir-YZ 31 Vir-ZX 32 Vir-ZY
33 Vir-ZZ 34 Pres-XX 35 Pres-XY 36 Pres-XZ
37 Pres-YX 38 Pres-YY 39 Pres-YZ 40 Pres-ZX
41 Pres-ZY 42 Pres-ZZ 43 #Surf*SurfTen 44 Box-Vel-XX
45 Box-Vel-YY 46 Box-Vel-ZZ 47 T-SOLU 48 T-MEMB

Digging through them the blowup is happening with a positive spike in kinetic energy/temperature of the solvent and a negative spike in pressure.

However, when I try saving trajectories of different components (solvent, protein, membrane) and using mdrun -rerun to compute these terms on the subsystems most of the energy terms are not calculated and I’m left with 9 that didn’t have any anomalies in the original simulation.

1 LJ-(SR) 2 Coulomb-(SR) 3 Coul.-recip. 4 Potential
5 Box-X 6 Box-Y 7 Box-Z 8 Volume
9 Density

I’ve been trying to figure out why the energy terms are limited for reruns, which occurs even if I rerun the full simulation with the same .tpr and .edr files from the original output provided.

If anyone has any ideas, suggestions, or clarifications please let me know!

concerning the question on the rerun energy term: you find more here https://manual.gromacs.org/current/user-guide/mdrun-features.html?highlight=rerun
The option -rerun is to compute potential energy quantities from a trajectory, and cannot, in general, compute many of the quantities reported during full simulations.