[gmx-users] H2O water density = 6.4617 g/l << 1000 g/l

[Chih-Ying Lin]

Hi
I am creating the water box with the following command.
The maxsol = 800; but # of SOL = 27;
The H2O  water density =  6.4617 g/l  << 1000 g/l

Did I do anything wrong on my genbox command or 1w.gro file?

Thank you
Lin


genbox -cp 1w.gro -cs 1w.gro -o box.gro -box 5 5 5 -maxsol 800

Output configuration contains 81 atoms in 27 residues
Volume                 :         125 (nm^3)
Density                :      6.4617 (g/l)
Number of SOL molecules:     27



Here is the  1w.gro

216H2O,WATJP01,SPC216,SPC-MODEL,300K,BOX(M)=1.86206NM,WFVG,MAR. 1984
    3
    1SOL     OW    1    .230    .628    .113
    1SOL    HW1    2    .137    .626    .150
    1SOL    HW2    3    .231    .589    .021
   1.86206   1.86206   1.86206