Re: [gmx-users] extract subsystem energy: problem with mdrun -rerun and LJ(SR)

andrea -- Dr. Andrea Minoia Chemistry of Novel Materials Uneversity of Mons, UMONS Parc Initialis, Avenue Copernic 1 B-7000 Mons, Belgium Mail: mino...@averell.umh.ac.be Tel: +32 65 373859 Fax: +32 65 373861 -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listin

Re: [gmx-users] extract subsystem energy: problem with mdrun -rerun and LJ(SR)

he www interface > or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- Dr. Andrea Minoia Chemistry of Novel Materials Uneversity of Mons, UMONS Parc Initialis, Avenue Copernic 1 B-7000 Mons, Belgium Mail: mino...@averell.umh.ac.b

[gmx-users] extract subsystem energy: problem with mdrun -rerun and LJ(SR)

CNT as well as in the dynamic in vacuo. hope in some answers. Thanks Andrea -- Dr. Andrea Minoia Chemistry of Novel Materials Uneversity of Mons, UMONS Parc Initialis, Avenue Copernic 1 B-7000 Mons, Belgium Mail: mino...@averell.umh.ac.be Tel: +32 65 373859 Fax: +32 65 373861 -- gmx-users mailing

[gmx-users] periodic carbon nanotubes

Hi there, I'm back to gromacs after some time and I'm trying to build a periodic single wall armchair nanotube with gromacs 4.0.5. I decided to start from scratch, writing my own set of .atp, .rtp, itp files based on oplsaa forcefield, as I was used to do before for polymers. I have already red