Surface tension calculations for bilayers

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1

GROMACS version: 2022
GROMACS modification: No
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I’m calculating surface tension for a bilayer system where from gmx energy I’m getting #surf*surftension value, is it the surface tension or I need to go for surface coupling?

Also, what is the unit of the value produced by gmx energy #surf*surftension.

Hope to get answee

2

Hi Ramya,

The unit is provided in the output of gmx energy, it’s bar*nm.

I think the documentation is a bit imprecise when it comes to the surface tension: you certainly don’t need surface tension coupling to measure surface tension. For example: when I need to compute the surface tension between a liquid and its vapour I have to do a NVT simulation, that is I don’t even have pressure coupling in the first place.

Remind yourself to divide by the number of surfaces to get the actual surface tension!

Michele