How to simulate polyethylene using Reacter?
Version: LAMMPS (3 Nov 2022)
the input file are attached on dropbox
There are no attached files. To avoid spam abuse of the forum, new accounts are not permitted to attach files. So you either need to quote files or post them with Google Drive, One Drive, Dropbox or similar with sharing enabled and then provide the link.
This is too vague a question. Please provide some details about what your goals are and what specific problems you are encountering. You cannot expect people to figure out what that is from your input files.
You should probably upgrade to the latest LAMMPS release version so you have the latest features and bug fixes.
Thanks
I have tested the examples of lammps reacter, which are runned normally
Hi Liang Xu,
Please pay close attention to all requests from LAMMPS moderators. We are trying to help you, but you need to help us do that. Why do you think reactions should be occurring? What have you tried to do to find the problem?
One immediate issue I see is that your templates have no ‘edge atoms’. Edge atoms are those that connect to the rest of the polymer chain, as described in the docs and demonstrated in the LAMMPS examples.
Jake