[gmx-users] g_select problem

[rajat desikan]

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 <mailmd2011 at 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
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-- 
Rajat Desikan (Ph.D Scholar)
Prof. K. Ganapathy Ayappa's Lab (no 13),
Dept. of Chemical Engineering,
Indian Institute of Science, Bangalore