Oo.....thanks for guiding Mark !!! Regards Lovika On 8 Sep 2014 19:45, "Mark Abraham" <mark.j.abra...@gmail.com> wrote:
> The md integrator does MD, not EM... > > Mark > On Sep 8, 2014 4:11 PM, "Lovika Moudgil" <lovikamoud...@gmail.com> wrote: > > > Hi everyone....I want to ask one question...In my .mdp file if I use md > > intergrator for energy minimisation .....then system is fine...but if I > use > > steep integrator...my system got error of more force on one atom....I > not > > clear why this is happeing....can any body guide me please.. > > > > Regards > > Lovika > > -- > > 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.