Table 2. Steps considered for equilibrium of unit surfaces of polymers cells.

Ensemble	Duration (ps)	Temperature (K)
NVT (time step = 0.1 fs)	10	310
NPT (P = 1atm)	150	310
NVT	200	400
NVT	200	550
NVT	150	300
NVT	200	750
NVT	350	1000
NVT	200	850
NVT	150	600
NVT	200	450
NVT	250	310