Re: [gmx-users] How to use "echo" to output index file with only one command line?
Hello. try: echo -e "r 1-442\nq\n" | gmx make_ndx -f equilibration.gro If this does not work, try: gmx make_ndx -f equilibration.gro<
Re: [gmx-users] How to use "echo" to output index file with only one command line?
For a one command line in bash I would use printf "r 1-442 \n q \n" | command In echo it is similar but you need to work out the " and ' very carefully. Cheers, On Mon, 11 Feb 2019, 17:21 ZHANG Cheng <272699...@qq.com wrote: > Dear Pedro Deira, > > > Sorry, could you please show me how to include the newline using "echo" > with only one command line? > > > Yours sincerely > Cheng > > > > > -- Original -- > From: "ZHANG Cheng"<272699...@qq.com>; > Date: Mon, Feb 11, 2019 06:36 AM > To: "gromacs.org_gmx-users"; > > Subject: How to use "echo" to output index file with only one command > line? > > > > I can successfully output the index file by doing it step by step: > > > $ gmx make_ndx -f equilibration.gro > $ r 1-442 > $ q > > > But I am not sure how to do it in just one line. > > > I tried these but all could not work > > > $ echo r 1-442 q | gmx make_ndx -f equilibration.gro > $ echo "r 1-442" q | gmx make_ndx -f equilibration.gro > $ echo "r 1-442" "q" | gmx make_ndx -f equilibration.gro > > > Thank you! > -- > 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. > -- 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.
Re: [gmx-users] How to use "echo" to output index file with only one command line?
Hi, Like echo "r 1-442\nq" | gmx make_ndx -f equilibration.gro The "\n" is the code for a new line. Mark On Mon, 11 Feb 2019 at 18:22 ZHANG Cheng <272699...@qq.com> wrote: > Dear Pedro Deira, > > > Sorry, could you please show me how to include the newline using "echo" > with only one command line? > > > Yours sincerely > Cheng > > > > > -- Original -- > From: "ZHANG Cheng"<272699...@qq.com>; > Date: Mon, Feb 11, 2019 06:36 AM > To: "gromacs.org_gmx-users"; > > Subject: How to use "echo" to output index file with only one command > line? > > > > I can successfully output the index file by doing it step by step: > > > $ gmx make_ndx -f equilibration.gro > $ r 1-442 > $ q > > > But I am not sure how to do it in just one line. > > > I tried these but all could not work > > > $ echo r 1-442 q | gmx make_ndx -f equilibration.gro > $ echo "r 1-442" q | gmx make_ndx -f equilibration.gro > $ echo "r 1-442" "q" | gmx make_ndx -f equilibration.gro > > > Thank you! > -- > 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. > -- 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.
Re: [gmx-users] How to use "echo" to output index file with only one command line?
Dear Pedro Deira, Sorry, could you please show me how to include the newline using "echo" with only one command line? Yours sincerely Cheng -- Original -- From: "ZHANG Cheng"<272699...@qq.com>; Date: Mon, Feb 11, 2019 06:36 AM To: "gromacs.org_gmx-users"; Subject: How to use "echo" to output index file with only one command line? I can successfully output the index file by doing it step by step: $ gmx make_ndx -f equilibration.gro $ r 1-442 $ q But I am not sure how to do it in just one line. I tried these but all could not work $ echo r 1-442 q | gmx make_ndx -f equilibration.gro $ echo "r 1-442" q | gmx make_ndx -f equilibration.gro $ echo "r 1-442" "q" | gmx make_ndx -f equilibration.gro Thank you! -- 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.
Re: [gmx-users] How to use "echo" to output index file with only one command line?
You need to include the newlines in your echo to get the result you want. Cheers On Sun, 10 Feb 2019, 22:38 ZHANG Cheng <272699...@qq.com wrote: > I can successfully output the index file by doing it step by step: > > > $ gmx make_ndx -f equilibration.gro > $ r 1-442 > $ q > > > But I am not sure how to do it in just one line. > > > I tried these but all could not work > > > $ echo r 1-442 q | gmx make_ndx -f equilibration.gro > $ echo "r 1-442" q | gmx make_ndx -f equilibration.gro > $ echo "r 1-442" "q" | gmx make_ndx -f equilibration.gro > > > Thank you! > -- > 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. > -- 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.
[gmx-users] How to use "echo" to output index file with only one command line?
I can successfully output the index file by doing it step by step: $ gmx make_ndx -f equilibration.gro $ r 1-442 $ q But I am not sure how to do it in just one line. I tried these but all could not work $ echo r 1-442 q | gmx make_ndx -f equilibration.gro $ echo "r 1-442" q | gmx make_ndx -f equilibration.gro $ echo "r 1-442" "q" | gmx make_ndx -f equilibration.gro Thank you! -- 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.
