[gmx-users] g_dipole ? => dipole moment ?

[Chih-Ying Lin]

Hi
I issue the g_dipole command on Gromacs => And, the following information is
shown.
There are 10 molecules in the selection,
Does the Average =32.1611 refer to the average for a single over the
simulation time?
Or, the Average = 32.1611 summing for all the 10 molecules over the
simulation time?
If the average = 32.1611 for a single molecule with 33 atoms / united atoms
of most carbon groups, isn't the dipole moment too high?




What does  "will subtract their charge at their center of mass"  this mean?
Why "will subtract their charge at their center of mass"  ?




==================================================================
There are 10 molecules in the selection
There are 10 charged molecules in the selection,
will subtract their charge at their center of mass
Using Volume from topology: 220.317 nm^3

Back Off! I just backed up epsilon.xvg to ./#epsilon.xvg.1#

Back Off! I just backed up aver.xvg to ./#aver.xvg.1#
Last frame      10000 time 20000.000
Average volume over run is 221.043

Dipole moment (Debye)
---------------------
Average  =  32.1161  Std. Dev. =   2.9926  Error =   0.0095
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