[gmx-users] HELP: g_velacc g_dos not match

[David van der Spoel]

On 2014-09-26 14:53, xy21hb wrote:
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> dear all,
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> it seems that the output of g_velacc, i.e. -o vel.xvg -os spec.xvg
> do not match that of g_dos, i.e. -vacf vel.xvg -dos spec.xvg, respectively,
> is there any reason for that?
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Are both files different?
Maybe you can submit an issue at http://redmine.gromacs.org
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> My version is 4.6.4, and I use 2 fs for time integration.
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> Thanks,
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> Yao
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-- 
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