Dear all，
I am running an MD simulation with lammps. My simulation has two kinds of potential, lj/smooth/linear and harmonic/shift/cut. But the lj/smooth/linear potential is only effective when the distance between two atoms is less than a specific value. In my model, there is a rigid body which is surrounded by other materials. There is interaction between rigid body and other material. I want to simulate the rigid body by giving this group high stiffness through changing the epsilon of lj/smooth/linear potential. When the epsilon is smaller than 5000, there is no error. But it presents the error “Too many neighbor bins”, once the epsilon is bigger than 5e6. I wonder how to correct the error or if there are any other method can be used to achieve the same effect.
The attachment is my input file. May I have your suggestions ? Many thanks for your reply .
Dear all，
I am running an MD simulation with lammps. My simulation has two kinds
of potential, lj/smooth/linear and harmonic/shift/cut. But the
lj/smooth/linear potential is only effective when the distance between two
atoms is less than a specific value. In my model, there is a rigid body
which is surrounded by other materials. There is interaction between rigid
body and other material. I want to simulate the rigid body by giving this
group high stiffness through changing the epsilon of lj/smooth/linear
potential. When the epsilon is smaller than 5000, there is no error. But it
presents the error "Too many neighbor bins", once the epsilon is bigger than
5e6. I wonder how to correct the error or if there are any other method can
be used to achieve the same effect.
The attachment is my input file. May I have your suggestions ? Many
thanks for your reply .
there are no attachment. please make sure that you attach a *complete*
input deck that can be run directly.
thanks,
axel.
That error typically occurs b/c the simulation box blows
up to a huge size. You can monitor that in your thermo
output or viz the system from dump file data.
Steve