Ah yes thanks I came up with it after a little more testing. c:\ProgramData\BOINC\slots\4>echo LIG protein | g_rms.exe -s md.tpr -f md.xtc -n index.ndx -nice 19
On Fri, Nov 13, 2009 at 6:56 PM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > > Jack Shultz wrote: >> >> I am trying to specify protein and LIG as groups when I start certain >> analysis programs. I want to run this as part of a script. For >> example, if I want to run g_rms it will prompt me to specify the two >> groups we want to compare. I want to specify the groups when I start >> the app. Other than re-writing the command arguments in the app, is >> there a way to pass those parameters at startup? >> > > Something like this? > > http://www.gromacs.org/Documentation/How-tos/Making_Commands_Non-Interactive > > -Justin > > -- > ======================================== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > 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-us...@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 > -- Jack http://drugdiscoveryathome.com http://hydrogenathome.org -- 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
