While doing simulation in GROMACS, we define cell size during solvation, which defines the distance between the molecule’s surface and the cell edge. In the GROMACS forum, I read that the RDF Rmax should be half the box size in the PBC box to avoid image interaction noise. But cell size and box size are two different think? because box is whole dimension of the simulation box.
I have taken cell size 10 angstrom but when I checked box size for the same using VMD pbc get -now its values of a= 44.35, b=42.19, c=123.45 and all angles are 90 degrees. so please guide me to choose Rmax value for RDF calculation.
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