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