[lammps-users] Fix bond/react

Dear users,
I am trying to perform crosslinking and then relaxing and equilibrating the system. I want to then loop this by using variable command in lammps. But, writing data after fix bond/react and equilibration added two extra sections in the data file:

  1. bond_react_stabilization_internal

Due, to which when the script is put into a loop, it gives an error "unknown identifier in data file. Is there a way that these two lines can be deleted or the script can be put into a loop?

To avoid writing that section, you need to unfix the fix before writing the data file.

Thank you sir.

The simulation runs fine but when the write data commands comes, it is now giving an error “could not find thermo fix ID”.

When you unfix the fix you must obviously also remove all references to that fix, for example in custom thermo output.

You can also use the ‘nofix’ option of the write_data command to avoid writing those sections.

Thank you sir, the option suggested by axel sir and jacob sir both helps. Now, my simulation is running fine