VMD-L Mailing List

From: Dhritiman Talukdar (dhritimant_at_gmail.com)
Date: Sat Nov 12 2016 - 00:05:08 CST

Hi,

I am using ReaxFF in LAMMPS to find the reaction intermediates of curing
reaction of DGEBA epoxy resin with MTHPA hardener using imidiazole
acclerator.
For that, I need to recalculate bonds based on bond lengths defined by
ReaxFF. Hence I need to change the parameters VMD uses to recalculate
bonds. Please let me know where in the source code do I have to make the
modifications.

Dhritiman Talukdar
Research Scholar
NIT-Silchar.