Hello, I guess it is not unusual for gaseous systems to have positive energy. I hope that the Fmax criteria is satisfied.
Sujith. On Wed, Aug 12, 2015 at 10:30 AM, Sunil Ghimire <ghimiresuni...@gmail.com> wrote: > I mean potential energy of system (1600 argon atoms) is positive after > energy mininization . > On 12 Aug 2015 16:58, "Vitaly V. Chaban" <vvcha...@gmail.com> wrote: > > > L_BFGS > > > > > > > > > > On Tue, Aug 11, 2015 at 11:37 PM, Sunil Ghimire > > <ghimiresuni...@gmail.com> wrote: > > > I created the pdb file by genconf but the system was not minimized, i > got > > > positive potential energy. What may be the problem? > > > On 11 Aug 2015 19:38, "Mark Abraham" <mark.j.abra...@gmail.com> wrote: > > > > > >> Hi, > > >> > > >> gmx genconf on a small box with a single argon is a useful starting > > point. > > >> > > >> Mark > > >> > > >> On Tue, Aug 11, 2015 at 3:16 PM Sunil Ghimire < > ghimiresuni...@gmail.com > > > > > >> wrote: > > >> > > >> > How can i create the .pdb file for 1600 atoms of argon ? > > >> > -- > > >> > 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. > > >> > > > -- > > > 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. > > > -- > 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.