[gmx-users] Fwd: Concatenating two trajectories

[Venkat Reddy]

So, that is the problem. Your second trajectory also has the same start
time. Some how you didn't extend your second run from where your 1st run
has finished.

Out of curiosity, why is your time step 50ps? Its too big for a simulation.
Generally it should be 2fs.


On Mon, Apr 21, 2014 at 12:30 PM, Sunita <sunita.bio at gmail.com> wrote:

> Hello Venkat,
>
> Ya, I am sure that I use 1st.cpt to run next 40 ns job
>  Find below the output of trjcat
>
> Summary of files and start times used:
>
>           File                Start time       Time step
> ---------------------------------------------------------
>     complex_prod1_old.xtc        0.000 ps       50.000 ps
>         complex_prod1.xtc        0.000 ps       50.000 ps WARNING: same
> Start time as previous
>
> Thanks
>
> --
> View this message in context:
> http://gromacs.5086.x6.nabble.com/Fwd-Concatenating-two-trajectories-tp5015956p5015962.html
> Sent from the GROMACS Users Forum mailing list archive at Nabble.com.
> --
> 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-request at gromacs.org.
>



-- 
With Best Wishes
Venkat Reddy Chirasani
PhD student
Laboratory of Computational Biophysics
Department of Biotechnology
IIT Madras
Chennai
INDIA-600036