[gmx-users] Fwd: Concatenating two trajectories

[Tsjerk Wassenaar]

Hi Venkat,

That time step is the time step in the output trajectory. Yours said 2.000
ps, not fs.

Cheers,

Tsjerk
On Apr 21, 2014 9:35 AM, "Venkat Reddy" <venkat4bt at gmail.com> wrote:

> 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
> --
> 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.
>