Is the "close contact" really an issue? As soon as you start any sort of MD
that will quickly adjust itself.
On Sat, 14 Mar. 2020, 7:23 pm dodia, wrote:
> Dear gromacs users,
>
> I was trying a simple gmx solvate test on a water box of size 25*20*20
> angstrom, creating a water box of density 1
Dear gromacs users,
I was trying a simple gmx solvate test on a water box of size 25*20*20
angstrom, creating a water box of density 1 g/cm^3. By my calculations
the no. of water molecules in the box should by 332 (each water molecule
has a volume of (3.11 angstrom)^3). When I use the solvate