Hi, I am not sure, but try resname SOL or something similar. Also, your first line has waterO and second line has water0.
On Sat, Sep 28, 2013 at 1:00 PM, Albert <mailmd2...@gmail.com> wrote: > Hello: > > I am trying to analyze the water density along Z direction of my protein. > Here is my g_select command: > > g_select_mpi -f ../md_pbc_center.xtc -s ../md.tpr -on density.ndx -sf > select.dat > > and here is my select.dat: > > waterO = water and name OW and z>30 and z<70; > close = water0 and within 0.4 of group Protein; > close > > it failed with messages: > > Reading file ../md.tpr, VERSION 4.6.3 (single precision) > Reading file ../md.tpr, VERSION 4.6.3 (single precision) > selection parser: syntax error > selection parser: invalid selection 'waterO = water and name OW and z>30 > and z<70' > > I am just wondering, is there anything wrong with my syntax? > > thank you very much. > > best > Albert > -- > gmx-users mailing list gmx-users@gromacs.org > 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 gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- Rajat Desikan (Ph.D Scholar) Prof. K. Ganapathy Ayappa's Lab (no 13), Dept. of Chemical Engineering, Indian Institute of Science, Bangalore -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
