Thanks. I wasusing the echo command after the trjconv command and of course it wasn't working. Now it does. The for loop is not a problem, was just how to tell in the script to print the 0 in the interactive window Thanks
Il giorno 03/feb/2012, alle ore 15.03, Mark Abraham ha scritto: > On 4/02/2012 12:56 AM, francesca vitalini wrote: >> >> Yes but those tips are not for bash scripts... :( > > You asked how to make the script always use the same no-longer-interactive > selection. That's the information on the page we linked. The bash loop glue > you'll have to work out for yourself according to your needs :-) For example, > > for i in $(seq 0 4000); do > echo 1 1 | trjconv -dump $i -s your.pdb -f the.xtc -o some.gro > done > > Mark > >> >> >> >> 2012/2/3 Mark Abraham <[email protected]> >> On 4/02/2012 12:21 AM, francesca vitalini wrote: >> Hi! >> I have to use the gromacs command trjconv to obtain a .gro file from a .xtc >> and a .pdb file. I have to do it for several files in a bash for loop so I'd >> rather prefer to find a way to make my script type in the trjconv >> interactive terminal always the same number for the system. Any tips? >> >> Check out >> http://www.gromacs.org/Documentation/How-tos/Using_Commands_in_Scripts >> >> Mark >> >> -- >> 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
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