Hi Kavya, That shouldn be a problem. Please post your sequence of commands for concatenating and further processing of the trajectory.
Cheers, Tsjerk On Thu, Aug 1, 2013 at 8:12 AM, Kavyashree M <hmkv...@gmail.com> wrote: > Dear users, > > I ran a simulation for 25ns. First 5ns in 8 core machine > and late part in 64 cores. It ran without any problem. The > trajectories were concatenated, jumps are removed and > rmsd was calculated. But there was sudden jump in the > rmsd curve. Is it wrong to run simulations in different > cores like this? > > Thank you > Regards > Kavya > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- Tsjerk A. Wassenaar, Ph.D. -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
