[gmx-users] (no subject)
vanean22 at gmail.com
Sat Jun 1 17:11:30 CEST 2013
On 2013-06-01 02:24, Marcelo Vanean wrote:
> 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,
I used the same energy file (ener.edr) and I get this results:
http://help-gromacs.blogspot.com.br/. The files visco.xvg are equals.
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