IBIsCO, It is Boltzmann Inversion software for Coarse Graining Simulations

IBIsCO
It is Boltzmann Inversion software for Coarse Graining Simulations

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IBIsCO units

Parameter	Unit
Length	Nanometre (nm)
Volume	Cubic nanometre (nm³)
Angle	Degree
Time	Pico-second (ps)
Energy	kJ/mol
Force	kJ/mol.nm
Mass	g/mol
Velocity	nm/ps
Temperature	kelvin (K)
Pressure	kPa
Mass density	kg/m³

The basic choice for the reduced units (indicated by an asterisk) is the following:

Unit of length, 1 nanometre (Rscale)

Unit of energy, k_B×300 (Escale)

Unit of mass, atomic mass of carbon (Mscale)

and from these basic units, all other units follow (temperature, time and pressure).

T^* = T × k_B / Escale , P^* = 1000 × Rscale³ × P / Escale , t^* = t / Rscale × (Escale / Mscale)^1/2