HI everybody, I am new to lammps and trying to finish a project with lammps-10May10 version.
The structure file I used was converted from Materials Studio via msi2lmp. I’ve already checked the file content to change Dihedral coef and Improper coef to integer but this error still showed up. Could anyone help me out? I’ve tried an older version of lammps on my laptop but it works just fine with this structure file.
Here are a sample of part of my structure file.
Pair Coeffs
1 0.1479999981 3.6170487995
2 0.0380000011 2.4499714540
3 0.0389999952 3.8754094636
…
Bond Coeffs
1 480.0000 1.3400
2 283.0924 1.5100
3 363.4164 1.0800
…
Angle Coeffs
1 90.0000 120.0000
2 44.2000 120.0000
3 37.0000 120.0000
…
Dihedral Coeffs
1 3 -1 2
2 3 -1 2
3 3 -1 2
…
9 0.1581 1 3
10 0.1581 1 3
11 0.1581 1 3
…
Improper Coeffs
1 0.3700 -1 2
2 0.3700 -1 2
3 11.6000 -1 2
4 11.6000 -1 2
Thank you all!
Without more information, no.
It's a pretty generic error message.
[When this happened to me, if I recall correctly I think in my case it
was because one of my sections in the data file ended prematurely.
(For example, in the "LAMMPS Description" section at the top, I
declared that have 5 types of bonds, but later on in my "Bond Coeffs"
section I only had 4 entries. And it expected 5.) Anyway check that
the number of atom, bond, angle, dihedral, and improper types in your
"LAMMPS Description" section is consistent with what appears later on,
as well as the number atoms, bonds, angles, dihedrals, and impropers.
( I could be completely wrong about this. This is probably not the
reason for the error, but it's all I can think of at the moment. If
that is the error, then it sounds like a bug in msi2lmp, and you
should let the authors know.)]
force.cpp (17 KB)
Can you post your entire files (input and data) so I can
reproduce the problem?
Steve