Hi all.

I have constructed a 3D periodic box, containing only water beads (according to Shinoda's coarse grained representation). Lattice volume is 4.97142E+06 A3, and bead number is 55296. In the Symmetry System filter of the Property Explorer, density has a value of 0.997370 (that is what should be). This should be equal to the product of the mass of a single bead times total number of beads, divided by lattice volume.  Now, using a bead mass of 54 (which is the bead mass I used), this calculation gives 0.60027. Where does this discrepancy come from? and what is the real density of water in this box? I attached the relevant file with the water box.

Thank you very much for your replies

Cheers

Giulios