The error in lammps identifier

LAMMPS LAMMPS General Discussion
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1

Hi everyone,
may i ask for help in the error here:
Reading data file …
ERROR: Unknown identifier in data file: 0 crossterms (…/read_data.cpp:1188)
Last command: read_data substrate_input.data

I have checked my data file and haven’t found something wrong.
I’m very confused.
Thanks!
Kevin

2

Please attach the data file so we can take a look.

3

How did you create the data file?

The “crossterms” header entry is for use with fix cmap when you have set up a CHARMM force field system that uses a CHARMM version which includes crossterms (e.g. CHARMM 36).

Since the number of crossterms is 0 in this case, you can safely delete the line and do not need to use fix cmap.

4

Oh i deleted it and it works! thanks so much

5

Oh i just deleted the line: ‘0 crossterms’ and it works! thank you for your kind reply!