Hi, Under Unix/Linux you can use
gmx make_ndx -f struc.gro -o test.ndx << _EOR_ r 1 q _EOR_ Best, Thomas. -------------------------------------------------------------------------------------------------------------------------- R. Thomas Ullmann, PhD Theoretical & Computational Biophysics Max Planck Institute for Biophysical Chemistry Am Fassberg 11 37077 Göttingen, Germany [email protected] www.bisb.uni-bayreuth.de/People/ullmannt -------------------------------------------------------------------------------------------------------------------------- ________________________________________ From: [email protected] <[email protected]> on behalf of Carlos Navarro <[email protected]> Sent: Thursday, April 4, 2019 5:55:26 PM To: [email protected] Subject: [gmx-users] question about make_ndx Dear gmx users, I’m trying to feed make_ndx though echo, but I’m having some issues. When I use echo "r 1" | gmx make_ndx -f struc.gro -o test.ndx I got the following error message: Fatal error: Error reading user input So apparently I have to include also the q argument to close properly make_ndx, but I don’t know how to do this. I have tried with echo "r 1 q" | gmx make_ndx, echo "r 1” “q" | gmx make_ndx, and other combinations, but non of them worked. Any ideas? Best regards, Carlos —————— Carlos Navarro Retamal Bioinformatic Engineering. PhD. Postdoctoral Researcher in Center of Bioinformatics and Molecular Simulations Universidad de Talca Av. Lircay S/N, Talca, Chile E: [email protected] or [email protected] -- 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 [email protected]. -- 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 [email protected].
