Thanks a lot Justin. On Tue, May 18, 2010 at 4:36 PM, Justin A. Lemkul <jalem...@vt.edu> wrote:
> > > Anirban Ghosh wrote: > >> >> Hi ALL, >> >> I want to calculate the distance between a number of atom pairs using >> g_dist. For this I want to submit the job through a submission script so >> that g_dist calculates the distances for all the pairs one after the other. >> But I need to select the two groups from an index file. How can I give this >> selection of groups in the script, instead of interactively? Any suggestion >> is welcome. >> >> > > http://www.gromacs.org/Documentation/How-tos/Making_Commands_Non-Interactive > > -Justin > > Regards, >> >> Anirban >> >> > -- > ======================================== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.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 gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
-- gmx-users mailing list gmx-users@gromacs.org http://lists.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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
