Bond atom is missing

LAMMPS LAMMPS General Discussion
1

Dears
I wand to compute diffusion coefficient of a system contain 42125 atom of polymer and 4125 atom of water, when I want to run simulation using both nvt and nve it give me error in the beginning process ( bond atom is missing) but when I changed Tdamping the temperature will keep increase and the the error of missing bond will appear again near to the end of process. The error also appear when only I used nvt alone but after many timesteps.May somebody help me

2

Your description is far too vague to be able to give any advice out side of: using fix nve and fix nvt at the same time is very unusual and is an error unless the two fixes are applied to different atoms.

For more and more specific advice, please provide the following:

  • The specific LAMMPS version you are using
  • The platform you are running on
  • Your input file
  • Detailed descriptions of the different changes you made to the input and what their effect was.
4

you may try to reduce your timestep. it may be helpful.

1 Like