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

[Chih-Ying Lin]

HI

As Mark described ,
> "So when you tile these cubes of side length 1.86nm in a 3x3x3 grid, you
> over-fill a cube of side length 5nm and get 27 water molecules. Use the
> standard water .gro files in the distribution and then minimize and
> equilibrate. "


And, how could I find the standard water .gro?

Thank you
Lin




> 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