[gmx-users] periodic boundary conditions pbc=xyz

Ming Tang m21.tang at qut.edu.au
Sun Apr 5 10:32:28 CEST 2015


Dear all,

I did a simulation using periodic boundary conditions pbc=xyz. It turns out that the box is defined too small, and some atoms go to another box.
Does this affect the simulation result? If not, how to display the real model (without separation) in VMD?

Thanks in advance,
Ming


More information about the gromacs.org_gmx-users mailing list