Hi all,
I use the option "#Surf*SurfTens" in g_engery to calculate the surface
tension, but I find that I really do not know how it works after I get some
inconsistent results compared with the calculation using the formula "gamma
= 0.5*(Pzz - (Pxx+Pyy)/2) * Lz" ( there are two surfaces here and the
surfaces in normal to the Z-axis).
Energy Average RMSD Fluct. Drift
Tot-Drift
----------------------------------------------------------------------------
---
#Surf*SurfTen 1136.5 2557.05 2557 0.00852598
51.1559
<====== ############### ==>
<==== A V E R A G E S ====>
<== ############### ======>
Pressure (bar)
-1.93061e+02 -6.88599e-01 -1.66823e-02
-6.84564e-01 -1.93953e+02 -2.93803e-02
7.79006e-03 -6.97915e-03 -9.87987e+01
The "#Surf*SurfTens" gives a value 568.25 bar*nm, and "gamma = 0.5*(Pzz -
(Pxx+Pyy)/2) * Lz" gives a value 473.54 bar*nm. Please give me some
suggestions about the inconsistency. Thanks in advance.
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