Hi,
How can I assign the bonds, not to break during minimization at Lammps.
Cheers,
Ramin
Hi,
How can I assign the bonds, not to break during minimization at Lammps.
bonds assigned via a data file or otherwise and computed via a bond
style don't "break".
what makes you think they do?
axel.
When I want to do a fast relax on a crystal structure via minimization command, I am facing with several broken bonds.
I want minimization command not to break the initial bonds, only minimize the system by changing the conformation (e.g., dihedral).
Ramin
When I want to do a fast relax on a crystal structure via minimization
command, I am facing with several broken bonds.
you are *not* answering my question: how do you determine that those
bonds are broken?