[gmx-users] Vibrational Power Spectrum

Alexander Alexander alexanderwien2k at gmail.com
Thu Aug 11 14:13:53 CEST 2016


Dear gromacs user,

Would you please let me know which kind of experimental spectrum (IR,
Raman, infrared, XRD ...) would be comparable to the "Vibrational Power
Spectrum" calculable via velocity auto correlation function by  gmx velacc
in gromacs?

Thanks,
Regards,
Alex


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