On 08/03/12, leila karami <karami.lei...@gmail.com> wrote: > Dear Justin > > Thanks for your reply. > > As you said " You need to enclose your selection string within ' ' so it is > interpreted as a single string." , I enclosed my selection string: > > > g_select -f com_ta_full_3.xtc -s com_ta_full.tpr -n index.ndx -oi -select > "Close to Protein" 'resname' 'SOL' and within 0.25 of group 'Protein'
You've enclosed each word of your selection string in its own set of single quotes. You need to enclose the whole of your selection string - including the name of the selection - in one set of single quotes. This forces your shell to pass the whole string as the argument to -select. Normally the shell breaks up the words before the tool you are using gets a look at them. Mark > > > > But, unfortunately, Program g_select, VERSION 4.5.1 > Source code file: statutil.c, line: 819 > > Invalid command line argument: > SOL > > > If I'm wrong in using selection string above, please correct it. > > Best regards. > >
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