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.
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.
sp...@xray.bmc.uu.se http://folding.bmc.uu.se
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