Problem in equilibrating Cellulose molecule--- molecule bending too much--- Reax/c potential used --- Bond angle and Dihedral angle too low

Sorry for not attaching the datafile. I am pasting it at the bottom of my message.

Also my structure is just a sequence of connected glucose molecules in vacuum. Can you please suggest how that changes the system? DO I change the boundary conditions?

Thank you so much for the help.


LAMMPS data file. CGCMM style. atom_style full generated by VMD/TopoTools v1.5 o
n Fri Jun 03 13:00:45 EDT 2016
63 atoms
3 atom types

-7.500000 11.500000 xlo xhi
-0.500000 9.500000 ylo yhi
-3.500000 5.500000 zlo zhi

Pair Coeffs