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. Author manuscript; available in PMC: 2020 Feb 20.
Published in final edited form as: Soft Matter. 2019 Feb 20;15(8):1747–1757. doi: 10.1039/c8sm02170h

Table 1:

Matching the physical properties: units for MD and DPD simulations. We perform MD simulations using LAMMPS with real units, and perform DPD simulations using LAMMPS with reduced DPD units. In coupled MD-DPD simulations, both MD and DPD quantities are converted to physical units to matching state variables

MD DPD Reduced
(real units) Scales DPD units
Length (m) 3.17×10−10 9.64×10−10 1
CG level - 10 -
Mass (kg) 2.99×10−26 2.99×10−25 1
Time (s) 1×10−15 5.33×10−12 1
Energy (J) 4.14×10−21 9.78×10−21 0.42
Viscosity (m2/s) 8.90×10−7 1.74×10−7 5.11