koller-thomas at gmx.de
Mon May 16 23:37:45 CEST 2011
the g_energy tool in Gromacs 4.0.7 provides calculation of viscosity (-vis) and surface tension (-o surften):
a) Both, the shear and bulk viscosity are calculated with -vis tool. What are the equations for calculating them? In the manual, there is only the equation for the shear viscosity. Are these values reliable?
b) How is the surface tension calculated, is it also a reliable method?
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