[gmx-users] PCA and Fast Fourier Transform
akash.pandya.15 at ucl.ac.uk
Mon Sep 17 15:18:20 CEST 2018
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?
More information about the gromacs.org_gmx-users