I am running a polymer in solvent simulation. However, I am getting the following error:
ERROR on proc 0: Invalid atom ID in Bonds section of data file (src/atom.cpp:1296)
I do not quite understand why this is happening? How do I diagnose such an error in how LAMMPS is processing my data file? The only way I have tweaked my datafile that works is by taking a different initial configuration and plugging it in the atoms section.
I have attached my settings, data and input file to this. The one I am having issues with is labelled “sys.0.data” and the one that works is called “sys.pnipam.water.data”.
I would appreciate any advice you have for me.
in.nvt (4.0 KB)
sys.pnipam.water.settings (6.4 KB)
sys.pnipam.water.data (4.4 MB)
sys.0.data (3.7 MB)