[gmx-users] Solvation box size

[Bob Johnson]

Hello everyone,
What is a good rule of thumb for creating solvation boxes and using periodic
boundary conditions? For example, I am currently positioning molecules in a box
so that they are about 1/2 of the LJ cutoff away from the box edge. This is to
ensure that each molecule doesn't interact with its image. Is this a good
method?
Thanks,
Bob Johnson