topo and data file generation

Dear all,

I am new LAMMPS user and currently trying to learn it.

I have a very simple question. Can anyone please suggest me how to create a LAMMPS data file from a xyz or pdb file? Here is the xyz file attached for TIPS3 water model.

For info, I used the topo plugin from VMD using the command topo writelammpsdata data.mysystem molecular. I am using the LAMMPS on windows. The VMD topo plugin on Windows did not produce any output file, so I used the VMD on Mac, and created the following data file. But I have not found any mention of charges. Also how to add the bond parameters, angle coefficients etc in data file? Shall I have to do it by hand?

Thank you,

Tim (152 KB)

data.mysystem (156 KB)

PDB -> data file can be done with the tools/ch2lmp tool.