Hi Jochen, Thanks for your response. That was some syntax error, now I am getting only single .edr file. Is there any restriction in mdp file parameters while running it in parallel mode ? And, is it necessary to run energy minimization and position restraining before running final mdrun ?
With Thanks, Vivek 2008/8/27 Jochen Hub <[EMAIL PROTECTED]> > vivek sharma wrote: > >> Hi There, >> I am running gromacs in a parellel architecture using -np 20. >> Now I want to generate the energy plot using g_energy, but there are 20 >> .edr files. >> > Really? I get only one ener.edr, even in parallel mode. Or did you use > -multi? > > Jochen > > > > > How should I use the g_energy command or which .edr file I should use? >> >> Any suggestion would be of great help.. >> >> With Thanks, >> Vivek >> ------------------------------------------------------------------------ >> >> _______________________________________________ >> 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 >> > > > -- > ************************************************ > Dr. Jochen Hub > Max Planck Institute for Biophysical Chemistry > Computational biomolecular dynamics group > Am Fassberg 11 > D-37077 Goettingen, Germany > Email: jhub[at]gwdg.de > Tel.: +49 (0)551 201-2312 > ************************************************ > _______________________________________________ > 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 >
_______________________________________________ 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