Dear all,
I would like to ask why the dielectric constant calculated using forcite->analysis is very small. For polypropylene (which should be around 2.2), the calculated value is only about 1.010.
Is it because my simulation time is too short (1000 ps)?
Forcefield: COMPASS III
Ensemble: NPT
Temperature: 300 K
Pressure: 1e-4 GPa
Time step: 1 fs
Total simulation time: 1000 ps
Frame output every: 2000 steps
Thermostat: Nose (default)
Barostat: Berendsen (default)
Thanks for reading and answering.
