[gmx-users] Dipole moment calculations

Nilesh Dhumal ndhumal at andrew.cmu.edu
Fri Apr 18 18:32:17 CEST 2014


Hello,
How does Gromacs calculate the dipole moment?

Does it calculate the distance of a atom from origin (0.0,0.0,0.0) or
distance from center of box (box_length/2, box_length/2, box_length/2)

Nilesh




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