JMandumpal wrote: > > > >Dear all, > > >While running a job, since there was space problem I could not write > the xtc files. Now when I do the analysis and use the trr file it > reports the >time values after every 5ps i.e. 2000, 2005, 2010 etc. > However I wish to >write the xtc file using trjconv such that the > timestep is reported >after every picosecond. > >Is this possible or do I need to rerun the entire simulation again to > >get the xtc file? > > >Regards, > >Priyanka. > > > Well, How about trying this command: > > trjconv -f *.trr -o *.xtc > > regards, > Jestin Mandumpal > > > > ICL > <http://adworks.rediff.com/cgi-bin/AdWorks/click.cgi/www.rediff.com/signature-home.htm/[EMAIL > PROTECTED]/2076213_2068813/2076295/1?PARTNER=3&OAS_QUERY=null> > > > ------------------------------------------------------------------------ > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > 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 Hello,
it depends on the setup of you MD in the mdp file. But it seems that your saved only every 5ps the information, so trjconv will not be able to produce a file with timesteps of 1ps. Just look into your mdp file and you will find the answers. Best Regards Flo -- Florian Dommert Dipl.-Phys. Computational and Theoretical Softmatter & Biophysics group Frankfurt Institute for Advanced Studies Johann-Wolfgang-Goethe University Ruth-Moufang-Str. 1 60438 Frankfurt am Main Phone: +49(0)69 / 798 - 47522 Fax: +49(0)69 / 798 - 47611 EMail: [EMAIL PROTECTED] Home: http://fias.uni-frankfurt.de/~simbio/Florian_Dommert
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