Ankita Naithani

3 Questions 2 Answers 0 Followers

Questions related from Ankita Naithani

Gromacs Vector component file?

I wanted some help regarding vector components. i.e. when we use the g_anaeig command with a flag of -comp, it outputs a file of the corresponding eigenvector per atom. So, the x-axis has the atom...

24 November 2013 8,642 1 View

How to make a movie of the slowest and fastest modes after PCA in gromacs?

I'd like to create a pymol movie on 10 fastest and 10 slowest modes after PCA. Can we do it in gromacs? I assume we can use g_anaeig but I am not quite sure of the commands. Any help would be...

06 June 2013 4,574 1 View

I have recently performed a simulation and want to analyse the data to delve deeper into the structural conformation of a protein.

I have read a couple of tutorials and am trying to incorporate the basic analysis tools available in gromacs like g_rmsd, g_rmsf, g_rms, g_covar, etc. But as I have recently started, I am confused...

27 February 2013 5,190 2 View