Hi Tsjerk, Sorry for the confusion. I thought its time step.... which is actually output writing frequency. Thank you sir for the correction.
On Mon, Apr 21, 2014 at 2:39 PM, Tsjerk Wassenaar <[email protected]> wrote: > 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" <[email protected]> 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 <[email protected]> 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 [email protected]. > > > > > > > > > > > -- > > 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 [email protected]. > > > -- > 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 [email protected]. > -- 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 [email protected].
