[lammps-users] Bond/react problem

LAMMPS LAMMPS Mailing List Mirror
1

Dear lammps user,

For my random copolymer (three monomer types) the crosslinking happens only between one specific monomer between chains, I created the molecule template only for two chain with only one monomer in each chain. However, I used edge ID for applying it to a long polymer chain.

What happens is very strange. When I do simulation with my molecule templates for two short chains with only one monomer in each (the chains which I used to create templates), the croslinimg happens. But when I apply it to a long copolymer chain there will be no newly bonded. Would you please guide me?

I am using latest lammps version.

2

I don't know what Jacob will say, but I suspect it will be much easier
to investigate what happened if you post input script(s) and LAMMPS
data file. (Hopefully your data file is not too large. If you have a
large data file, please post it as a google-drive link or a dropbox
link or something similar, since there are many people on the LAMMPS
mailing list.)

Andrew

3

You have not provided enough information for me to give advice. Can you include a small working example? Also note, you should include the date and year of your lammps version, to avoid ambiguity.

Jake