How to model air in gromacs?

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1

GROMACS version:
GROMACS modification: Yes/No
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hello
i want to perform md simulation of silica nanoparticles at the water/air interface i built the system with packmol( 300 water molecules were added to my system to represent air) and proceed to em and encountered this error:
Fatal error:
There are inconsistent shifts over periodic boundaries in a molecule type
consisting of 447 atoms. The longest distance involved in such interactions is
5.813 nm which is above half the box length. Either you have excessively large
distances between atoms in bonded interactions or your system is exploding.

can anyone help me with this? is there any better way to model air?

2

It doesn’t really look like a problem with air/water, but perhaps with your nanoparticle (or another component that has 447 atoms). It might be broken through periodic boundary conditions, or another unexpected thing is happening.