There is no "command", but your can obviously compute formation energy of your structure.
Dr. Vitaly V. Chaban Виталий Витальевич ЧАБАН On Mon, Jul 28, 2014 at 6:05 PM, Andy Chao <ac...@energiaq.com> wrote: > Dear gromacs users: > > is there any gromacs command that can allow us to compute the maximum > allowable energy that can be sustained on an ionic liquid structure? > > > in other words, instead of energy minimization, we would like to > compute maximum energy under stability. > > Thanks! > > Andy > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a > mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
