[gmx-users] Surface tension calculation of a bilayer with bilayer normal in y-direction
shcyang at ucdavis.edu
Wed Sep 7 06:40:36 CEST 2011
I am pretty confused about how to calculate the surface tension of a bilayer
which with its bilayer
normal in y-direction rather than z-direction (as the default).
How does the Surf*SurfTen option in g-energy work? Does it take z as a
default bilayer normal?
If so, how can I calculate the surface tension in my case?
What if I use g_energy to get Pxx, Pyy and Pzz, than calculate my surface
gamma= (Pyy - (Pxx+Pzz)/2) * Lz
What exactly is the "Lz"? Is it the length of the bilayer normal or the
length of either box-x or box-z
(in my case are the bilayer plane).
I will be vary thankful if anyone would kindly help me or discuss it with
Thank you for your precious time.
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