[gmx-users] inaccuracy in g_dipoles log

Dmitri Dubov ddubov at ngs.ru
Tue Mar 9 13:29:24 CET 2010

Dear GMX'ers,

Maybe it will be usefull for somebody:
Struggling with the output of g_dipoles, I've found an inaccuracy in its log. 
Namely, line

Total < |M| >^2 = 1.23456 Debye^2

means in fact 

Total |< M >|^2 = 1.23456 Debye^2

So the true < |M| > value cannot be obtained from this figure! 

 Dmitri                          mailto:ddubov at ngs.ru
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