Hi Users,
I am trying to reproduce the TIP3P model to simulate water. I used the input file from https://docs.lammps.org/Howto_tip3p.html
tip3p.mol (552 Bytes)
in.params (999 Bytes)
The problem is that whenever I try to run it, the same error always appears:
ERROR: Illegal create_atoms command (…/create_atoms.cpp:234)
It might be a silly mistake on my part, but I’d really appreciate it if someone could point out what went wrong. Just to let you know, my lammps version is (27 May 2021).
Thank you very much for considering my question.
Att
That is too old. The example uses the “overlap” feature in “create_atoms” that was added in version 2 June 2022 as indicated in the documentation: create_atoms command — LAMMPS documentation
As is clearly stated, the online LAMMPS documentation always describes the latest feature release version of LAMMPS. Not all changes are fully backward compatible, especially not over multiple years. Those are discussed in the release notes and we now put version markers in the documentation when a feature was added or changed.
Nice!
Thank you for your quickly reply.
Att.