[gmx-users] Help g_energy

Marcelo Vanean vanean22 at gmail.com
Wed Sep 18 14:38:47 CEST 2013


Hello. I was calculating the viscosity of hexane through the Gromacs
command g_energy. Three files are generated: visco.xvg, evisco.xvg and
eviscoi.xvg. The file visco.xvg presents the shear viscosity and bulk, but
the value does not match the experimental. I used 8 ns simulation at
equilibrium. However, the file evisco.xvg has a value very close to the
experimental but has only a time of 2 ns (version 4.0.7). I want to know
what is present in the file eviscoi.xvg. Thank you.

http://help-gromacs.blogspot.com.br/2013/09/viscosidade-gromacs-407.html



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