[gmx-users] Molecule leave from the simulation box

[Wes Barnett]

On Wed, Sep 20, 2017 at 11:53 PM, Sameer Edirisinghe <nootsam at gmail.com>
wrote:

> Dear Users,
>
> I have done simulation for polymer system which is having 20 molecules. But
> after nvt equilibrium 2 molecules leave the simulation box. Is this
> affecting to my production run or analysis?
>
> Is it possible to re-center all molecules?
>
>
http://www.gromacs.org/Documentation/Terminology/Periodic_Boundary_Conditions


-- 
James "Wes" Barnett
Postdoctoral Research Scientist
Department of Chemical Engineering
Kumar Research Group <http://www.columbia.edu/cu/kumargroup/>
Columbia University
w.barnett at columbia.edu
http://wbarnett.us