Dear Lammps Users,
I would like to calculate the dipole moment for SPC/E water.
If I use SHAKE algorithm to keep the water molecules rigid, is that possible to calculate the dipole moment by Lammps?
Thank you very much for any suggestion.
Liyi
Dear Lammps Users,
I would like to calculate the dipole moment for SPC/E water.
If I use SHAKE algorithm to keep the water molecules rigid, is that possible to calculate the dipole moment by Lammps?
Thank you very much for any suggestion.
Liyi