Incorrect format in Atoms section of data file

LAMMPS LAMMPS Beginners
1

Hello everyone, I have some problems with lammps, I hope you can help me, my data file is as follows, and I would like to ask why I lose atomic mass when I use msi2lmp for data file conversion My data file atomic mass is added manually by query
LAMMPS data file. msi2lmp v3.9.10 / 10 Mar 2023 / CGCMM for YM

764 atoms

15 atom types

-10.647200000 10.647200000 xlo xhi
-10.647200000 10.647200000 ylo yhi
-10.647200000 10.647200000 zlo zhi

Masses

1 12.010700 # c4
2 12.010700 # c3a
3 14.006700 # n2a
4 12.010700 # c3=
5 12.010700 # c3o
6 15.999400 # o1=
7 15.999400 # o2h
8 15.999400 # o2e
9 12.010700 # c4o
10 12.010700 # c43
11 14.006700 # n2=
12 12.010700 # c3n
13 12.010700 # c43o
14 1.007940 # h1
15 1.007940 # h1o

Atoms # charge

  1      1   1 -0.106000    -0.325402144     5.532046104    -3.397221028   0   0   1 # c4
  2      1   1 -0.106000    -0.740995310     4.082366552    -3.093604639   0   0   1 # c4
  3      1   2  0.000000    -0.120772017     3.376471493    -4.276699151   0   0   1 # c3a
  4      1   2  0.240500     0.098710771     4.301219113    -5.306824078   0   0   1 # c3a
  5      1   1 -0.106000    -0.355878186     5.677243396    -4.914342609   0   0   1 # c4
  6      1   2 -0.126800     0.137315723     2.043527640    -4.482470084   0   0   1 # c3a
  7      1   2  0.000000     0.700411192     1.657777474    -5.685911459   0   0   1 # c3a
  8      1   2  0.240500     0.901008508     2.681779595    -6.673497829   0   0   1 # c3a
  9      1   3 -0.481000     0.582140136     3.967685505    -6.499385893   0   0   1 # n2a

My lammps in file is as follows

REAX potential for YM system

…

units real

atom_style charge
read_data YM.data

pair_style reaxff
pair_coeff * * ffield.reax.c4
pair_coeff * * ffield.reax.c3a
pair_coeff * * ffield.reax.n2a
pair_coeff * * ffield.reax.c3=
pair_coeff * * ffield.reax.c3o
pair_coeff * * ffield.reax.o1=
pair_coeff * * ffield.reax.o2h
pair_coeff * * ffield.reax.o2e
pair_coeff * * ffield.reax.c4o
pair_coeff * * ffield.reax.c43
pair_coeff * * ffield.reax.n2=
pair_coeff * * ffield.reax.c3n
pair_coeff * * ffield.reax.c43o
pair_coeff * * ffield.reax.h1
pair_coeff * * ffield.reax.h1o

neighbor 2 bin
neigh_modify every 10 delay 0 check no

fix 1 all nve
fix 2 all qeq/reax 1 0.0 10.0 1e-6 param.qeq
fix 3 all temp/berendsen 3000.0 3250.0 3500.0 250

fix 4 all reaxff/species 1 100 100 species.out element H O C N
fix 5 all reaxff/bonds 100 bonds.reaxff

dump 1 all custom 100 dump.xyz id type q x y z
run 5000

2

This is not the format for atom style “charge”, but for atom style “full”

Likely because there are errors and you have told msi2lmp to ignore errors.

This is so bogus and completely wrong that it hurts to look at.

3

thanks you reply can l ask