VMD-L Mailing List

From: matziast_at_med.uth.gr
Date: Wed Feb 24 2010 - 12:37:49 CST

Hi, i have calculated the dipole moment of a selection with the command measure
dipole, the results were -6.11, -10.07, 29.77. then i did the same but i used
an appropriate script (sum q*r)and the results were -6.31 -9.82, 28.9 why that
happened, how the differences can be interpreted does anyone know how exactly
"measure dipole" calculate the dipole moment?
thanks in advance