[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,
andre'
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Dr. Andre' Farias de Moura
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Laboratorio de Quimica Teorica
Universidade Federal de Sao Carlos
Sao Carlos - SP - Brasil
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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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