[gmx-users] g_h2order output

Andre Farias de Moura andre at qt.dq.ufscar.br
Tue Aug 17 19:59:06 CEST 2004

dear all,

I've got one simple question regarding g_h2order output.
I've chosen -sl 200 to see how water molecules would be
ordered as a function of the distance from interface.
order.xvg file has four y columns labeled as:

@    yaxis  label "mu_x, mu_y, mu_z (D), cosine with normal"

my question is: are mu_x, mu_y and mu_z the average dipole
vector components on the slice?

thanks in advance,



    Dr. Andre' Farias de Moura


  Laboratorio de Quimica Teorica
Universidade Federal de Sao Carlos
     Sao Carlos - SP - Brasil


        Endereco Atual

    Grupo de Quimica Quantica
Instituto de Quimica de Sao Carlos
    Universidade de Sao Paulo
    Sao Carlos - SP - Brasil
    Telefone: 55-16-3373-8055


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