see command gmx convert-tpr On Wed, May 17, 2017 at 3:22 PM, Kashif <kashifzamir180...@gmail.com> wrote:
> I have already run my 20 ns md simulation of my protein. The log file is > showing completion of my 20 ns data. I have also done analysis by using > trjconv command and g_rms. > Now I want to increase my simulation at least for 20 ns more and make my > data of protein simulation for 40 ns. Kindly help for continuation of my > simulation. I have used this command but it did not help and shows error. > command: mdrun -deffnm md_0_1 -cpi md_0_1.cpt -append > > error: > NOTE: 23 % of the run time was spent communicating energies, > you might want to use the -gcom option of mdrun > > Core t (s) Wall t (s) (%) > Time: 25.000 2.843 879.2 > (ns/day) (hour/ns) > Performance: 0.061 394.912 > Finished mdrun on node 0 Sat Apr 29 11:46:36 2017 > > regards > kashif > -- > 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.