GROMACS version:
GROMACS modification: Yes/No
Here post your question
Fatal error:
Due to new ways of treating molecules in GROMACS the total dipole in the
energy file may be incorrect, because molecules can be split over periodic
boundary conditions before computing the dipole. Please use your trajectory
file.
during the dipole moment calculation I am facing these problems.
Is there any particular way in gromacs to calculate the dipole moment around 1nm region of small molecule which is present in the bulk system?