Dear Ahmed - I do not understand how you imagine "FCC geometry" in the liquid state of matter.
If you want to just resize my system, use the standard "genbox" utility and then re-equilibrate at the desired temperature and density (if you want to fix density, of course). Dr. Vitaly V. Chaban, 430 Hutchison Hall Dept. Chemistry, University of Rochester 120 Trustee Road, Rochester, NY 14627-0216 THE UNITED STATES OF AMERICA On Fri, May 25, 2012 at 10:30 AM, ahmed sta <ahmedsta6...@yahoo.fr> wrote: > Dear Vitaly > > > I am an engineer student and i am now trying to use Gromacs > I found your Argon molecule defined topology created in May 2009 > I want to ask you how to define my own geometry on Gromacs > In fact i am trying to define liquid Argon system with a density > equilibrated at 90K. My system should have a FCC geometry and containing for > example 500 atoms > > > I really need your help > > Best regards > > > > > Ahmed Sta > Ensta Paristech engineering school > ahmedsta6...@yahoo.fr -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
