Computational Materials Modelling Using LAMMPS: Polymer
Showing posts with label Polymer. Show all posts
Showing posts with label Polymer. Show all posts

Polymer simulation

In this blog, I will be showing how to calculate the Radius of gyration and Radial distribution function(rdf) for a polymer chain.


 Input script

# VARIABLES

variable fname index PE_cl100.txt

variable simname index PE_cl100