[gmx-users] potential across surface

Andre Farias de Moura andre at qt.dq.ufscar.br
Wed Aug 4 20:16:32 CEST 2004

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,



    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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