[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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