[gmx-users] Viscosity

Marcelo Vanean vanean22 at gmail.com
Sat Jun 1 02:24:52 CEST 2013


Hello to everyone. In version 4.5.5, calculating the viscosity with the
command g_energy -vis, the generated files (eviscoi.xvg, eviscoi.xvg and
visco.xvg) are inconsistent. The file evisco.xvg, for example, gives a
value of zero for viscosity using the Einstein relation. Another question
in 4.0.7, the file eviscoi.xvg is approximately a straight line, whereas in
version 4.5.5 not. Why the Gromacs 4.0.7 gives the result in this way?
Evidently, there is an inconsistency in these different results. Help me,
please.



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