I would to perform a Brownian dynamics simulations, and I used fix langevin along with fix nve as mentioned in LAMMPS documentations, but I have a question which is
Brownian dynamics is used when implicit solvent is introduced in the simulation, whatever this solvent be it has a viscosity, so how I can introduce this viscosity with these commands ?
How I can perform a simulation without boundaries ( No simulation box ) ?
How I can use a pair style coul/debye without a cutoff radius ( along with the previous question ) ?
1. I would to perform a Brownian dynamics simulations, and I used fix
langevin along with fix nve as mentioned in LAMMPS documentations, but I
have a question which is
Brownian dynamics is used when implicit solvent is introduced in the
simulation, whatever this solvent be it has a viscosity, so how I can
introduce this viscosity with these commands ?
it is determined by the "damp" parameter. please see the fix langevin
docs. look for the drag force.
2. How I can perform a simulation without boundaries ( No simulation box )
?
you cannot.
3. How I can use a pair style coul/debye without a cutoff radius ( along
with the previous question ) ?