[gmx-users] gmx solvate density problem

[Irem Altan]

Hi,

I am trying to add tip4p water into the unit cell of a protein. I have removed the crystal waters. The output of gmx solvate is the following:

Output configuration contains 4642 atoms in 753 residues
Volume                 :     38.4496 (nm^3)
Density                :      1223.1 (g/l)
Number of SOL molecules:    603

I have not changed the vdW radii. Why could the density be this high? How is the solvent volume estimated anyway?

Best,
Irem