[gmx-users] Diferent ensambles for monolayers dynamics

Andre Farias de Moura andre at qt.dq.ufscar.br
Wed Dec 1 15:11:27 CET 2004

On Wed, 1 Dec 2004, Pedro Alexandre Lapido Loureiro wrote:

> > only one more short question the
> > presence of vacuum doesn't affect in the result of the surface tension
> > as is calculated in gromacs as it uses de z box size,Lz?
> Yes, you are right, it does affect, as long as surface tension equals
> Lz/n(Pzz -(Pxx+Pyy/2)).

but pressure tensor takes 1/V into account so that Lz may be as
large as you want it to be, it will not affect surface tension.

> Regards.
> Pedro.

best regards,



    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


> --
> Pedro Alexandre Lapido Loureiro
> Laboratório de Física Biológica
> Instituto de Biofísica
> Brasil
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