[gmx-users] Protein Dipole moment

Georgios Patargias G.N.Patargias at leeds.ac.uk
Mon Mar 5 18:21:55 CET 2007


Does g_dipole take the center of mass of a molecule as the origin when 
calculates its dipole moment?
If yes, is it the com at t=0 that is used or is it re-calculated for every frame?

I had look at the source code but it wasn't very clear to me.

Thank you very much in advance. 

Best wishes 

Dr. George Patargias
Polymer IRC Group
University of Leeds
Leeds, LS2 9JT, UK

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