[lammps-users] Reading atom coordinates input script

Hi all,

I am trying to read the atom co-ordinates from a file.
When I replace these lines

lattice fcc 3.986
region box block 0 7 0 2 0 3
create_box 1 box
create_atoms 1 box

with this
read_data atoms.txt

I get NAN for all quantities (T, P, vol, etc)

Am I missing a required command?

The atoms.txt file has is attached and has defined bounds for
calculation domain, atom types, no. of atoms followed by the
0 27.902 xlo xhi
0 7.972 ylo yhi
0 11.958 zlo zhi
1 atom types
263 atoms

It seems that the co-ordinates are being read as I can print them out
through dump command and view them in VMD.

Thanks a lot

in.Alpc (578 Bytes)

atoms.txt (6.18 KB)

It probably means your atom coords are not good, e.g.
highly overlapped atoms, possibly at the periodic boundaries.