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 >
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