[gmx-users] surface tension calcualtion

Rohit Malshe malshe at wisc.edu
Wed Oct 13 22:34:17 CEST 2010


Hi all, 

Can someone comment if the method I am following is correct: 

I want to calculate surface tension of a liquid, 

I simulate a thin film of the liquid periodic in x-y and I expand the z periodic boundaries. 

Then I use g_energy (surface tension) to calculate the value and divide it with 2 as there are two surfaces. 


- Rohit



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