I am writing to ask about “fix bond/create” command.
I try to create an epoxy crosslinked structure using “fix bond/create” command. I wrote lammps input and data files, and then ran it. When the simulation was done, I visualized the trajectory file via OVITO. It seems that a bond was created between two reactive atoms, because two reactive atoms became close and moved together. However, when I convert restart file to data file, bond information was not updated. I mean that the number of bonds in the restart data file is the same as one in the initial data file.
I read “fix bond/create section” in lammps doc. It said that “When a bond is created, you might wish to induce new angle and dihedral interactions that include that bond. However, LAMMPS does not create these angles and dihedrals, even if your simulation defines an angle_style or dihedral_style.”
As far as I understood, the bond information must be updated in the restart data file because the document does not mention that new bond is not induced.
If there is no updated information for a new bond in the restart file, how can I verify that the new bond was created?
Data file and input file are attached here for your information. I compiled all packages except for USER-CUDA, GPU, and USER-ATC.
Thanks in advance.
data.test1 (106 KB)
in.crosslink (2.48 KB)