The post 2ns run had crashed. The commands were tpbconv -f 2ns.trr -e 2ns.edr -s 2ns.tpr -extend 10000
When it crashed ,the command given was tpbconv -f ext10ns.trr -s ext10ns.tpr -e ext10ns.edr -o leftrun.tpr On Wed, 10 Sep 2008 Justin A.Lemkul wrote : > > >sarbani chattopadhyay wrote: >> Hi all, >> I had used the "tpbconv" command to give continuation run on a 2ns >> simulation. I had >>provided the previois trajectory file, energy file for this. However the >>continuation run had >>crashed due to power failure and I again had to give a rerun on it. >> > >I'm confused. Which part crashed? Start --> 2 ns, or the post-2ns time frame? > >Please provide the exact commands you gave to tpbconv. > >>Everything seems to be working well but surprisingly I find that the >>coordinates of the atoms >>at 2ns , as found at the end of the 2ns simulation and the coordinates of >>the atoms at 2ns at >>the start of the continuation run are different. This means that the run >>didn't start from the >>point at which ended. > >How did you make this determination? > >-Justin > >> >>Can anyone suggest any reason for this? >>Thanks in advance >>Sarbani >> >> >> >>578x38_banner2.gif <http://adworks.rediff.com/cgi-bin/AdWorks/click.cgi/ www.rediff.com/signature-default.htm/ [EMAIL PROTECTED]/2606998_2599290/2602379/1?PARTNER=3&OAS_QUERY=null> >> >> >>------------------------------------------------------------------------ >> >>_______________________________________________ >>gmx-users mailing list [email protected] >>http://www.gromacs.org/mailman/listinfo/gmx-users >>Please search the archive at http://www.gromacs.org/search before posting! >>Please don't post (un)subscribe requests to the list. Use the www interface >>or send it to [EMAIL PROTECTED] >>Can't post? Read http://www.gromacs.org/mailing_lists/users.php > >-- ======================================== > >Justin A. Lemkul >Graduate Research Assistant >Department of Biochemistry >Virginia Tech >Blacksburg, VA >jalemkul[at]vt.edu | (540) 231-9080 >http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > >========================================
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