On Wed, Mar 6, 2013 at 3:02 PM, Ibrahim (Ibrahim Awad) Awad <iea...@crimson.ua.edu> wrote: > I've built my structure on avogadro and i want to create lammps data file > that contains atoms, bonds and angles. How can i do that please > LAMMPS is something David Lonie worked on recently in Avogadro 2, with a very early prototype in this topic,
http://review.source.kitware.com/#/t/2206/ We never added MD generators in version 1, and we are still figuring out the required steps in Avogadro 2 to usefully generate input. We would appreciate help if there are LAMMPS users out there that could take us through there needs and current workflows. Thanks, Marcus ------------------------------------------------------------------------------ Symantec Endpoint Protection 12 positioned as A LEADER in The Forrester Wave(TM): Endpoint Security, Q1 2013 and "remains a good choice" in the endpoint security space. For insight on selecting the right partner to tackle endpoint security challenges, access the full report. http://p.sf.net/sfu/symantec-dev2dev _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
