Re: [gmx-users] Creating a simple water box

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

[gmx-users] Creating a simple water box

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