Hi, We can't see your figure, but as you would see in the mdrun log file, energy groups are not implemented for gpu runs. You can do mdrun -nb cpu -rerun however
Mark On Sun, 8 Jan 2017 07:23 Mijiddorj Batsaikhan <b.mijidd...@gmail.com> wrote: > Dear gmx users, > > I run 500 ns simulation using GPU. After simulation I made mdrun -rerun. > Finally, I performed gmx energy analysis. Result looks unusual as a > following figure. LJ Interaction between 2 groups. > > > > How is the figure? Is there any advice? > > > Best regards, > > Mijiddorj > -- > 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.
