Professional Documents
Culture Documents
# Title
# Intialization
units real
dimension 3d
boundary p p p
atom_style full
# Atom Definition
replicate 1 1 1
# Settings
velocity all create 298.15 4928459 rot yes mom yes dist gaussian
fix ensemble all nvt temp 298.15 298.15 100 tchain 1
timestep 2.0
# Output
thermo_style one
thermo 50