Hi, Define an itp file which has the non-bonded info. Then define a mdp (md parameter file) and also make a structure file (gro). Also you need a topology file (top) which corresponds to the structure file.
You will have to do some background work. Manual should be your friend. amit On Sat, Nov 20, 2010 at 11:32 PM, leila separdar <separdar.le...@gmail.com>wrote: > I am beginner with gromacs. I would like to simulate the behavior of glassy > materials starting with simple Lennard Jones liquid. > please advise me as to how to begin. > a relevent flowchart or tutorial would be of immerse help > thank you very much indeed. > > -- > 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 >
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