[gmx-users] Error after trjconf processing

[James Starlight]

Dear Gromacs users!

I have performed long md run. From the production trajectory by means of

trjconv -f md_.trr -s cam.tpr  -dt 10 -e 300 -sep -o ./pdbs/.pdb  # extract
conformers from first 300 ps each 10ps steps


I've extracted 10 conformers in the desired time step

Than when I perform MD on each conformer I obtain error (when I loaded in
grompp  conformer from the initial run I have no such error)

Number of degrees of freedom in T-Coupling group rest is 130551.00
Largest charge group radii for Van der Waals: 8.895, 7.586 nm
Largest charge group radii for Coulomb:       8.895, 8.474 nm

WARNING 1 [file ./mdps/minim.mdp]:
  The sum of the two largest charge group radii (17.368397) is larger than
  rlist (1.000000)


Finally after minimization of each conformer with the same R_list (with
maxwarn 1 flag) and starting new MD on the minimizing conformer I have no
such error:
Largest charge group radii for Van der Waals: 0.241, 0.237 nm
Largest charge group radii for Coulomb:       0.241, 0.237 nm

Why this error have occurred (with no minimized conformers) and how it
could be fixed correctly ?

James