[gmx-users] question about periodic boundary conditions

Abhijeet Joshi abhijoshi129 at gmail.com
Thu Oct 21 01:45:20 CEST 2010


            I am new to the list. 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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