[gmx-users] Why not PBC for implicit solvent?

Yun Shi yunshi09 at gmail.com
Tue Feb 26 04:30:05 CET 2013

Hi everyone,

Previous posts mentioned setting pbc = none for MD simulations with
implicit solvent. But I am trying to see the behavior of certain
concentration of ligands (small molecules, no big biomolecules) in
solvent, so I wonder if setting pbc = xyz would cause any problem for
my system?

Should I also stay with the normal cutoff values for vdw and coul interactions?


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