On the mass of benzene

[dspoel]

Not sure whether this is a bug or a feature, but the mass of a benzene molecule is 108 Da, rather than 78 Da.

[ricalessandri]

By default Martini (3) uses standard masses for the beads: 36 Da for tiny beads, 54 Da for small beads, 72 Da for regular beads. Hence the masses you see in the benzene itp.

[dspoel]

Just wondering, since the density of benzene liquid is now 1300 g/l rather than 900 g/l...

[ricalessandri]

To compute the density then you should use the actual mass of benzene, either by generating a new .tpr with the right mass and the gmx mdrun -rerun (if you want to use gmx density) or via the box volume, etc.