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1

Hi.
I have generated a PSF file using VMD AutoPsf Builder tool.
Also, I have used all27_prot_lipid_na as topology and parameter files.
Then, I crated DataFile from these files using ch2lammps tool. [using “perl charmm2lammps.pl …” command].
However, when I want to use this data file in LAMMPS, I face this error:

ERROR on proc 0: 1-3 bond count is inconsistent
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0

I don’t know how to solve it.
I will be much grateful if you can help me with this problem.

All the best
Alireza Taheri

2

That is an internal error, generated when the special bond list
of 1-2, 1-3, 1-4 neighbors is created. My guess is that there
is something wrong with your bond topologies as input in the data
file. Maybe some double counting of bonds, etc.

Steve