It would be helpful for coarse-grained simulations to pack a box using number density instead of mass density.
A possible solution is to have an option in pack for number density that calculates the box dimensions for you. A solution used in the @cmelab with FlowerMD is to calculate the box dimensions from the given number density: https://github.com/cmelab/flowerMD/blob/main/flowermd/utils/utils.py
It would be helpful for coarse-grained simulations to pack a box using number density instead of mass density.
A possible solution is to have an option in pack for number density that calculates the box dimensions for you. A solution used in the @cmelab with FlowerMD is to calculate the box dimensions from the given number density: https://github.com/cmelab/flowerMD/blob/main/flowermd/utils/utils.py