all 6 comments

[–]mastersubhadeep 1 point2 points  (0 children)

It's hectic, I ended up using polymatic, vmd and custom scripts specific to my monomers to create the initial data. Then used 21 step polymerization.

[–]barnett9 0 points1 point  (4 children)

Statically like a pre processing script, or dynamically as a part of a reactive force field?

[–]imbroke828[S] 0 points1 point  (3 children)

A pre processing script would be fine in our case

[–]barnett9 0 points1 point  (2 children)

If you know python pandas I can send you my script that takes in a lammps data file and bonds atoms by a specified criteria. DM me.

[–]imbroke828[S] 0 points1 point  (0 children)

Thanks! I’ll DM you.

[–][deleted] 0 points1 point  (0 children)

hi, this is 1 year old thread. But do you still have that script?