Data File Format

Hi all,

I developed a program on Matlab which generates the atom coordinates, bond and angle information for my problem but I am confused how to make this output as a file which lammps can understand it as a data file with read_data command. I tried to copy the output in a text file and save it with .data format, it worked somehow in one problem but in the other it gave errors like” unexpected end of data file” for example for the file that starts like this:

#Created by Tolga Akiner on 10.02.13 by MATLAB

3993 atoms

2662 bonds

1331 angles

0 dihedrals

0 impropers

2 atom types

1 bond types

1 angle types

0 dihedral types

0 improper types

-1 19 xlo xhi

-1 19 ylo yhi

-1 19 zlo zhi


1 1.008

2 15.9994

Pair Coeffs

1 0 0

2 0.1553 3.166

Bond Coeffs

1 0 1

Angle Coeffs

1 0 109.47


so there might be something I am missing. I will be very pleased if someone can tell me how to save a data file for lammps with the output from the matlab command window.

Tolga AKINER, BSc.

Bogazici University

Mechanical Engineering Department