I'm trying to simulate styrene-butadiene rubber using COMPASS forcefield in
lammps. NPT dynamics @353K and 1 atm runs normal for a certain amount of time
(~0.67 ns for the attached system) and then suddenly, most of the atoms in the
simulation box nearly freeze .
Any idea/suggestions to explain this?
in.SBR (848 Bytes)
restart.SBR_353K_0.5GPa.50000 (193 KB)