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Molecular Dynamics : particles going out of the box

From: vinayak@ipr.res.in
To: forum@abinit.org
Subject: Molecular Dynamics : particles going out of the box
Date: Thu, 2 Mar 2006 12:49:38 +0100

Dear Abinit users.

I'm trying to do MD simulation of the compressed Hydrogen fluid with the
time step of 12atu to calculate the energy . I found that after 100 MD steps
particles are away from the simulation box. Is the simulation running
properly?? Your reply will be highly appreciated.

Thanks & Regards
Vinayak Mishra,
Institute for Plasma research,
Bhat, Gandhinagar-382428, India.

Molecular Dynamics : particles going out of the box, vinayak, 03/02/2006
- Re: [abinit-forum] Molecular Dynamics : particles going out of the box, Per Andersson, 03/02/2006
  - Re: [abinit-forum] Molecular Dynamics : particles going out of the box, Nuno Galamba, 03/02/2006
    - Re: [abinit-forum] Molecular Dynamics : particles going out of the box, Anglade Pierre-Matthieu, 03/02/2006