[gmx-users] g_select problem
Albert
mailmd2011 at gmail.com
Sat Sep 28 09:30:54 CEST 2013
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
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