From: Axel Kohlmeyer (
Date: Sun Jul 22 2018 - 14:26:45 CDT

On Sun, Jul 22, 2018 at 2:24 PM Aashish Bhatt
<> wrote:
> Dear Sir
> I have performed HEME dynamics in the vacuum. I have calculated IR spectral density through VMD.
> I need information about peak means which peak is Fe-N stretching like.
> Can you guide me how can check corresponding peak or stretch of bonds.

you cannot. the method used here does not produce any kind of eigenvectors.

> Best Regards
> Aashish Bhatt

Dr. Axel Kohlmeyer
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.