[gmx-users] Surface Tension Calculation

Dallas B. Warren Dallas.Warren at vcp.monash.edu.au
Fri Sep 15 03:41:57 CEST 2006

>      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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