Yes. Thank you, Mark. _____________________________________________ Xiaobin Cao Dept of Geology & Geophysics E235, Howe-Russell Geosciences Complex, Louisiana State University, Baton Rouge, LA 70803, U.S.A.
________________________________________ And there are even more options at http://www.gromacs.org/Documentation/How-tos/Using_Commands_in_Scripts Mark On Wed, Sep 24, 2014 at 3:58 PM, Xiaobin Cao <x...@lsu.edu> wrote: > Thank you, Erik and Chandan. They all work well. They will save me a lot > of time. > > _____________________________________________ > Xiaobin Cao > Dept of Geology & Geophysics > E235, Howe-Russell Geosciences Complex, > Louisiana State University, Baton Rouge, LA 70803, U.S.A. > > Or redirected input: > > g_msd -s topol.tpr -f traj.xtc <<EOF > 0 > EOF > > Kind regards, > Erik > > Erik Marklund, PhD > Postdoctoral Research Associate > > Department of Chemistry > Physical & Theoretical Chemistry Laboratory > University of Oxford > South Parks Road > Oxford > OX1 3QZ > > On 24 Sep 2014, at 05:14, Chandan Choudhury <iitd...@gmail.com> wrote: > > > Use echo > > > > $echo 0 | g_msd -s topol.tpr -f traj.xtc > > > > Chandan > > > > On Wed, Sep 24, 2014 at 9:35 AM, Xiaobin Cao <x...@lsu.edu> wrote: > > > >> Hi Gromacs users, > >> > >> When I do msd analysis (g_msd), there is a promotion to select a group > >> number. I am wondering how can I select a number using a script. So the > >> computer can do analysis automatically. > >> > >> Thank you. > >> > >> _____________________________________________ > >> Xiaobin Cao > >> Dept of Geology & Geophysics > >> E235, Howe-Russell Geosciences Complex, > >> Louisiana State University, Baton Rouge, LA 70803, U.S.A. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.