I am new to LAMMPS and have been trying to simulate
linear polyethylene chains using united atom force
fields. I tried to use 'in.chain' and 'data.chain'
provided in '/lammps/tools' with some modifications to
start the simulation. But it keeps crashing on me and
my guess is its due to the magnitude of the resulting
forces. Those files in /tools are for FENE chains and
the units are reduced lj units. I dont have a good
feel for the reduced units and hence cant figure out a
way around them.
Can any one pls provide me with an example for the
input files for polymers with united atom potentals in
either regular or reduced units. Also, does any know a
method to generate the initial configuration of the
Thanx in advance