[gmx-users] concatenating 2 xtc files

Tsjerk Wassenaar tsjerkw at gmail.com
Thu Aug 1 08:50:05 CEST 2013

Hi Kavya,

That shouldn be a problem. Please post your sequence of commands for
concatenating and further processing of the trajectory.



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
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Tsjerk A. Wassenaar, Ph.D.

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