Thanks Terry. It worked. Chandan
-- Chandan kumar Choudhury NCL, Pune INDIA On Fri, Jul 22, 2011 at 12:00 PM, Terry <[email protected]> wrote: > > You should issue a "q" command to save and quit. So "choice.txt" should look > like: > ri 1-20 > ... > ... > ri 101-120 > q > > Cheers. > Terry > > On Fri, Jul 22, 2011 at 1:53 PM, Chandan Choudhury <[email protected]> > wrote: >> >> Hi gmx-users, >> >> I was trying to feed make_ndx with the non-interactive script, below >> is my command: >> >> The script called "choice.txt" contained: >>> >>> ri 1-20 >>> >>> ri 21-40 >>> >>> ri 41-60 >>> >>> ri 61-80 >>> >>> ri 81-100 >>> >>> ri 101-120 >> >> Initially, I used the bash shell, then csh and tcsh, but in both the >> cases it failed to produce the index_1.ndx file >> >> $make_ndx -f md20-80.tpr -o index_1.ndx < choice.txt >> >> > >> Found 162 atoms with resind.+1 in range 1-20 >> >> 5 r_1-20 : 162 atoms >> >> > >> Found 162 atoms with resind.+1 in range 21-40 >> >> 6 r_21-40 : 162 atoms >> >> > >> Found 162 atoms with resind.+1 in range 41-60 >> >> 7 r_41-60 : 162 atoms >> >> > >> Found 162 atoms with resind.+1 in range 61-80 >> >> 8 r_61-80 : 162 atoms >> >> > >> Found 162 atoms with resind.+1 in range 81-100 >> >> 9 r_81-100 : 162 atoms >> >> > >> Found 162 atoms with resind.+1 in range 101-120 >> >> 10 r_101-120 : 162 atoms >> >> >> ------------------------------------------------------- >> Program make_ndx, VERSION 4.5.4 >> Source code file: make_ndx.c, line: 965 >> >> Fatal error: >> Error reading user input >> For more information and tips for troubleshooting, please check the >> GROMACS >> website at http://www.gromacs.org/Documentation/Errors >> >> Kindly help. >> >> Chandan >> >> -- >> Chandan kumar Choudhury >> NCL, Pune >> INDIA >> -- >> gmx-users mailing list [email protected] >> http://lists.gromacs.org/mailman/listinfo/gmx-users >> Please search the archive at >> http://www.gromacs.org/Support/Mailing_Lists/Search before posting! >> Please don't post (un)subscribe requests to the list. Use the >> www interface or send it to [email protected]. >> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
