[gmx-users] Spectrum from nmeig command
David van der Spoel
spoel at xray.bmc.uu.se
Sat Jun 15 22:23:51 CEST 2019
Den 2019-06-15 kl. 16:12, skrev up201406812:
> Dear Gromacs users,
> In the spectrum output from the nmeig command, what is the meaning of
> intensity and what are its units?
> I'm using the 2018.6 version.
> Best regards,
Intensity has no meaning as of now, just the frequencies. I will have a
summer worker implement proper calculation of intensities from next week.
David van der Spoel, Ph.D., Professor of Biology
Head of Department, Cell & Molecular Biology, Uppsala University.
Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205.
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