[gmx-users] Debugging 'inconsistent shifts'

[Kalev Takkis]

Hi, list!

GROMACS complains about inconsistent shifts and suggests me to check my
topology. I have so done, but the problem is not immediately obvious. How
can I make it tell me exactly which atoms/bonds it finds faulty?

All the best,
Kalev Takkis

Institute of Chemistry
Faculty of Science and Technology
University of Tartu
Ravila 14a
Tartu 50411
ESTONIA