[gmx-users] potential across surface

[Andre Farias de Moura]

dear gmx-users,

I tried to use g_potential to get the potential
across air-water interface but I'm not sure
about the meaning of potential.xvg output. I
expected something like a nearly constant value
in bulk water region followed by a steep drop
in the interfacial region, but got instead a
steadly increasing function with only slight
changes across the interface.

is that what g_potential should give me?

how could I get a potential difference from
such plot?

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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