VMD-L Mailing List

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Mon Apr 23 2018 - 11:12:49 CDT

On Mon, Apr 23, 2018 at 11:58 AM, Sonibare, Kolawole <
kasonibare42_at_students.tntech.edu> wrote:

> Dear VMD users,
>
> I have a system of heterogenous molecules. I have calculated the Centre of
> mass coordinates for each molecules using LAMMPS and I have an output file.
>

What are the contents and the format of this file?

>
> I intend to calculate the diffusion coefficient between similar molecules
> in the mixture. How can I do this please?
>
> Thank you.
>
> 

-- 
Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Contractor, National Institutes of Health, Bethesda, MD
http://goo.gl/Q3TBQU
https://github.com/giacomofiorin