[gmx-users] Vibrational spectra of amide I using gromacs

Mijiddorj B b.mijiddorj at gmail.com
Wed Jan 8 15:38:06 CET 2020


Dear gmx users,

Hello, I would like to ask vibrational spectra of amide of specific
amino acids. Is it possible to analyze from classic MD calculations of
gromacs?
Or

Is there any software that is compatible with gmx trajectories  to
calculate the spectra?

Best regards,

Mijiddorj


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