Dears
I am a little bit confused about the relation between density and volume of simulation box. How I determine the desired volume of simulation box at certain density? If I have density 0.98g/cm3 and the unit command is real, should I convert it to gm/ang3? and what is the volume of (region box block -30.0 30.0 -30.0 30.0 -30.0 30.0 units box)? is it 60^3 or 30^3?
Many thanks for your help