Hiding water molecules in a solvated system

OVITO
1

Hello,

Very simple question here. I am trying to visualize all non-water molecules in a solvated system. I am using a custom force field that has no information on bonding, so I don’t have the option of selecting by molecule. Unfortunately, my solute also contains hydrogen and oxygen, so removing by atom isn’t ideal.

The best I came up with so far is selecting by cartesian coordinates, but hopefully I’m missing something straightforward.

The solvent molecules were introduced using the create_atoms command in LAMMPS, but for some reason the LAMMPS trajectory I am visualizing did not place the solvent atoms after the solute indices, rather they are interspersed.

Thanks,
Ben

2

For those interested, I found a solution on the LAMMPS end. The default behavior is to not preserve atom ID order for many dump formats. As such, I needed to add “sort id” (and I added “balance yes” for good measure) to my dump_modify command.