David van der Spoel
spoel at xray.bmc.uu.se
Sat Jun 1 08:21:23 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,
Please give some details about your system and how you did the analysis.
Did you use the same energy file with the different gromacs versions? In
that case they should give the same result.
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
spoel at xray.bmc.uu.se http://folding.bmc.uu.se
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