[gmx-users] PCA and Fast Fourier Transform

[Pandya, Akash]

Hi all,

I have carried out PCA on my MD trajectories. I want to investigate the frequency distribution of my MD trajectory projected on Principle Component modes (PC1, PC2 etc.). I ultimately want these frequencies as function of time using Fourier Transform. Is there any Gromacs utility that can facilitate this?


Many thanks,

Akash