[gmx-users] potential across surface

Andre Farias de Moura andre at qt.dq.ufscar.br
Tue Aug 10 14:40:12 CEST 2004

hi david,

you were able to reproduce my results regarding
the strange potential behaviour at a water slab
surface but I cannot reproduce yours: you sent
a potential.xvg file that resembles what I would
expect from my simulations, so I would like to
know how did you set up your system? and could
you send me your g_potential.c/gmx_potential.c
files, so I could check if there is anything new
in your cvs version of the code compared to my
standard version?

thanks again,



    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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