[gmx-users] Simulation box size, LIE and PME

[Williams Ernesto Miranda Delgado]

Greetings
The discussion list had helped me about understanding what to do when I
want to calculate binding free energy using LIE after doing MD simulation
using PME.
Now I need your help about choosing the simulation box size for ligand and
complex. I used -d 1.0 in editconf for the complex simulation and -d 1.6
for the ligand simulation. Are this values ok? Should I use a different
value of -d for the ligand simulation?
Thank you
Williams