[gmx-users] concatenating 2 xtc files

[Tsjerk Wassenaar]

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 <hmkvsri at 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 at 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-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>



-- 
Tsjerk A. Wassenaar, Ph.D.