[gmx-users] Fourier transformations of protein motions

[Ing. Vojtěch Spiwok]

Hallo all GROMACS people

I would like to ask about some tool to perform an analysis of
protein motions by fourier transform to get power spectra
(intensity of motion vs. frequency) possibly for each atom,
residue or owerall spectra for protein. I would like also ask
about compatibility of such analysis with LINC, SHAKE,
temperature coupling and other MD details.

Cheers

Vojtech Spiwok
Biochemistry and Microbiology@
ICT Prague
Czech Republic

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