[lammps-users] united atom for nanofiber

Dear all,

I know that this is not a Lammps question but I really need some help.
I am building polymer structure(pdb file) and I want to use the United Atom force field for this structure.
So, can I just delete all H coordinates in pdb file and apply Dreiding potential to the structure?
Any reply would be greatly appreciated.

Thank you,

Justin

Dear all,

I know that this is not a Lammps question but I really need some help.
I am building polymer structure(pdb file) and I want to use the United Atom
force field for this structure.
So, can I just delete all H coordinates in pdb file and apply Dreiding
potential to the structure?

yes. if you assign the proper atom types to the non-H atoms.

axel.