Dear lammps users,
I know there are many similar questions posted, but mine is a little bit different. I’m currently testing cholesterol model. When the system is composed of two cholesterol molecules, the simulation runs without giving error. But, for one molecule system , the lammps gives error of ’ Unknown identifier in data file: 5 45 (…/read_data.cpp:464)’ I did not change the data file format. The only thing changed is number of atoms, bonds , angles and propers. I’m pasting the data below. It is a mystery why there is no error for two molecule system but error for one molecule system.
8 atoms
14 bonds
1 angles
9 impropers
4 atom types
14 bond types
1 angle types
9 improper types
-15 15 xlo xhi
-15 15 ylo yhi
-15 15 zlo zhi
Masses
1 45
2 45
3 45
4 45
5 45
6 45
7 45
8 72
Atoms
1 1 1 0 9.46132e-16 -5.22576 50.0902
2 1 2 0 1.00967e-15 -5.74458 55.0632
3 1 3 0 7.48435e-16 -6.11144 58.5796
4 1 2 0 8.11972e-16 -6.63026 63.5526
5 1 2 0 1.36076e-15 -6.11144 58.5796
6 1 2 0 1.4243e-15 -6.63026 63.5526
7 1 2 0 1.16306e-15 -6.99712 67.0691
8 1 4 0 1.2266e-15 -7.51594 72.0421
Bonds
1 1 1 2
2 2 1 3
3 3 1 4
4 4 2 3
5 5 2 4
6 6 3 4
7 7 3 5
8 8 4 5
9 9 4 6
10 10 4 7
11 11 5 6
12 12 5 7
13 13 6 7
14 14 7 8
Angles
1 1 4 7 8
Impropers
1 1 1 3 5 7
2 2 1 3 5 4
3 3 1 4 5 3
4 4 4 7 5 3
5 5 3 5 7 4
6 6 2 1 3 4
7 7 2 4 3 1
8 8 6 4 5 7
9 9 6 7 5 4