Please always include LAMMPS user mailing list in recipients.
You can easily check that by setting up the simulation once with “special_bonds fene” and once with “special_bonds lj/coul 1 1 1”.
The potential energy should be different.
Cheers,
Michal
Please always include LAMMPS user mailing list in recipients.
You can easily check that by setting up the simulation once with “special_bonds fene” and once with “special_bonds lj/coul 1 1 1”.
The potential energy should be different.
Cheers,
Michal