[gmx-users] Questions on surface tension anaysis.

[ysun at mie.utoronto.ca]

The surface tension should have the same unit as pressure:Bar, why Bar*nm?



Quoting Marcos Villarreal <arloa at dqb.fcq.unc.edu.ar>:

> On Friday 24 October 2003 15:32, you wrote:
> > Dear. gmx-users.
> >
> > I used g_energy with #surf*surften option to analyze surface tensions of
> my
> > monolayer systems. I got some results like below.
> >
> > Energy                      Average       RMSD     Fluct.      Drift 
> > Tot-Drift
> >
> ---------------------------------------------------------------------------
> >---- #Surf*SurfTen              -991.074    2303.49    2302.97  0.0206873  
> 
> > 169.84
> >
> > I couldn't understand my results because this number doesn't look like
> what
> > we expected. Also, I could see the graph, using xmgrace, but the unit was
> > kJ/mol, which is not appropriate unit for surface tension.
> >
> > Therefore, I would like to know how those surface tension calculations
> are
> > done, and which units those values have...how to analyze those numbers...
> >
> > best,
> > Hwankyu.
> 
> the units in #Surf*SurfTen are Bar*nm which is an order of magnitude larger
> 
> than the more commonly used mN/m.
> Remember that "#Surf" stands for "number of surfaces"
> 
> All graphs made by g_energy say E(kJ/mol). Even the temperature!
> 
> Saludos,
> -- 
> Marcos Villarreal
> Grupo de Biofisica
> Departamento de Quimica Biologica - CIQUIBIC.
> Universidad Nacional de Cordoba.
> Cordoba. Argentina.
> http://www.fcq.unc.edu.ar/ciquibic
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