[gmx-users] Surface pressure for lipid bilayer.

Abhijeet Joshi abhijoshi129 at gmail.com
Thu Oct 21 06:12:39 CEST 2010


As correctly pointed out by Mark, I am restating my concern in this topic.

            I am trying to simulate lipid bilayer with atomistic model. I
want to calculate surface pressure at phase boundary. I am thinking of using
#surf*surfTen option with g_energy. But I am afraid, that I won't get a
meaningful value because of large fluctuations.   I would like to know how
this option calculates surface tension? also if there exist a better way of
calculating surface pressure from Gromacs data.

Can anyone suggest a way or useful document to refer for this scenario.

- Abhijeet
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