I am using reaxFF in LAMMPS to perform some MD simulations. I have the following error after some picoseconds:
Too many bonds on atom. Increase MBONDDEF
I have read previous emails to the list about it. It happens when the number of bonds exceeds 20 for a given atom. However, if I integrate the g(r) of my system, I reach 20 atoms for distances never lower than 10 angstroms, which is reasonable. Also, by visual inspection I don't see any unrealistic cluster of atoms. Which is the cut off distance for the bond analysis? How could I overcome this problem?
Many thanks in advance