Thanks, jalemkul. We tried today the testing suggestion from user Dr_DBW on the other topic (Gmx grompp complains about net charge but itps add up to zero) and it proves that this is indeed the cause for the “oddity” observed.
Thanks, jalemkul. We tried today the testing suggestion from user Dr_DBW on the other topic (Gmx grompp complains about net charge but itps add up to zero) and it proves that this is indeed the cause for the “oddity” observed.