[gmx-users] Surface Tension Calculation

svb1 at msstate.edu svb1 at msstate.edu
Fri Sep 15 11:33:07 CEST 2006

write g_energy
the number 6 is just the corresponding to the surface tension, it can be any
Quoting "Dallas B. Warren" <Dallas.Warren at vcp.monash.edu.au>:

> >      I posted a question a few days ago regarding the
> > calculation of the surface tension of a lipid bilayer in
> > Gromacs.  The response that I got was to use the option
> > "#Surf*SurfTens" in g_energy.  I am not really sure how to do
> > this.  I have looked at the g-energy file in Gromacs, and I
> > don't see any option that is "#Surf*SurfTens".  Maybe the
> > file name is wrong, or I am running an older version of
> > Gromacs or something.  Let me know if is there is a way to
> > calculate the surface tension of a lipid bilayer within the
> > Gromacs program, or if it is necessary for me to modify the
> > code.  (The more detailed the better. I am new to Gromacs)
> I case no-one else responds .... by the sound of it, whether the surf
> term is present within the energy file will depend on the type of
> pressure coupling you are using.
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