[gmx-users] Why not PBC for implicit solvent?
yunshi09 at gmail.com
Tue Feb 26 04:30:05 CET 2013
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
Should I also stay with the normal cutoff values for vdw and coul interactions?
More information about the gromacs.org_gmx-users