[lammps-users] Invalid atom type in Atoms section of data file

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1

Hi All,

I used atom_style hybrid molecular charge in my simulation. And in my data file, I followed the example online as:
atom_id, mol_id, atom_type, charge, atom coordinates(xyz)
However, I get the error like "Invalid atom type in Atoms section of data file". I double check my atom_type column and there is nothing wrong. Can someone help me with that? Thanks.

C. Shao

2

What on-line example are you referring to? The doc
page for read_data in the Atoms section explains the
format of the data file for atom_style hybrid. And it's
not what you are listing.

Steve