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
