Dear Lammps Users,
I am trying to model base-cnt with charmm force field.first i prepared them in separate files (both in charmm) , then i wrote a small code to combine those 2 data file and when i tried to run it i got this error :
Scanning data file …
ERROR on proc 0: Unknown identifier in data file: 29 580.000 1.48000 (read_data.cpp:1232)
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
apperantly there is a mistake in the way i combined those two different system.my data file and my input script is attached, can you please help me to figure out what is wrong?
THY-cntw.data (117 KB)
THY-cntw.in (1.77 KB)