# LAMMPS template to calculate msd of mono-sized, hard-spere colloids units lj atom_style sphere boundary p p p dimension 3 # Create colloids and initialize velocities lattice sc 0.00001 region box block 0 300 0 300 0 300 units box create_box 1 box create_atoms 1 box set type 1 mass 345 velocity all create 1.0 948676 dist gaussian #***Enter pair_style and pair_coeff commands here timestep 0.1 #***Enter fix langevin and fix nve/sphere commands here compute tbig all temp thermo_modify temp tbig thermo_style custom step cpu temp pe total thermo 10000 # Equilibration run run 1000000 #***Enter compute msd command here #***Enter thermo_style command here #***Enter thermo command here reset_timestep 0 #input run command here